3D Periodic Editor 3D Molecular And Reaction Editor Expert Editor Microsoft Quantum Editor EMSL Aerosol Workshop Editor Manual 3D Periodic Editor 3D Molecular And Reaction Editor Expert Editor Microsoft Quantum Editor EMSL Aerosol Workshop Editor Manual Results from an EMSL Arrows Calculation
| EMSL Arrows is a revolutionary approach to materials and chemical simulations that uses NWChem and chemical computational databases to make materials and chemical modeling accessible via a broad spectrum of digital communications including posts to web APIs, social networks, and traditional email. |
Molecular modeling software has previously been extremely complex, making it prohibative to all but experts in the field, yet even experts can struggle to perform calculations. This service is designed to be used by experts and non-experts alike. Experts can carry out and keep track of large numbers of complex calculations with diverse levels of theories present in their workflows. Additionally, due to a streamlined and easy-to-use input, non-experts can carry out a wide variety of molecular modeling calculations previously not accessible to them.
The id(s) for emsiles = [Mo] theory{pspw4} xc{pbe} basis{100.0 Ry} solvation_type{None} ^{1} mult{4} are: 76185
Use id=% instead of esmiles to print other entries.
mformula = Mo1
iupac = molybdenum quqrtet radical cation
PubChem = 23932
PubChem LCSS = 23932
cas = 7439-98-7
kegg = C00150
synonyms = 7439-98-7; Mo; Molybdenum; Molybdenum(6+); MOLYBDENUM ATOM; Molybdenum(6+) ion; MOLYBDENUM(VI) ION; molybdenum(5+); Molybdenum, ion (Mo(6+)); Molybdenum (VI) ion; UNII-81AH48963U; Mo6+; Molybdenum, ion (Mo5+); Molybdenum wire; Mo(6+); MFCD00003465; 81AH48963U; Molybdenum powder; MChVL; 6MO; Molybdenum, metallic; Molybdenum, elemental; Metco 63; TsM1; molibdeno; Molybdenum wire, platinum coated, 0.457mm (0.018in) dia; Amperit 106.2; Amperit 105.054; Molybdenum gauze, 10 mesh woven from 0.38mm (0.015mm) dia wire; Molybdenum gauze, 20 mesh woven from 0.305mm (0.012in) dia wire; Molybdenum gauze, 30 mesh woven from 0.204mm (0.008in) dia wire; Molybdenum gauze, 50 mesh woven from 0.0509mm (0.002in) dia wire; Molybdenum gauze, 100 mesh woven from 0.0636mm (0.0025in) dia wire; Molybdenum gauze, 165 mesh woven from 0.0509mm (0.002in) dia wire, twilled weave; 4MO; Molybdenum metallicum; HSDB 5032; EINECS 231-107-2; Molybdenum rod; Molybdenum, insoluble compounds; Molybdenum sheet; Nitinol Rod; Molybdenum pellet; Molybdenum, crucible, cylindrical, length 1 pcs, outside diameter 47mm; Molybdenum, foil, thickness 0.015 mm, size 200 x 200 mm, purity 99.9%; Molybdenum, foil, thickness 0.020 mm, size 200 x 200 mm, purity 99.9%; Molybdenum, foil, thickness 0.025 mm, size 200 x 200 mm, purity 99.9%; Molybdenum, foil, thickness 0.03 mm, size 200 x 200 mm, purity 99.9%; Molybdenum, foil, thickness 0.03 mm, size 200 x 500 mm, purity 99.9%; Molybdenum hydride; Molybdenum pellets; Molybdenum(VI); Molybdenum Nanorods; Molybdenum(5 ); Molybdenum compounds; molybdenum trihydride; Molybdenum Nanopowder; molybdenum(5+) ion; molybdenum(V) cation; Molybdenum, compounds; Molybdenum ion(6+); molybdenum pentahydride; molybdenum(VI) cation; Molybdenum foil, 3N5; Molybdenum Nanoparticles; Molybdenum, metal and insoluble compounds; Molybdenum and compounds; Molybdenum Nano Dispersion; 42Mo; EC 231-107-2; Ultra Thin Molybdenum Nanofoil; DTXSID1024207; CHEBI:28685; CHEBI:30511; CHEBI:49446; HSDB 7540; Mo(5+); MOLYBDENUM, 99.99%; DTXSID00872441; DTXSID40872440; 8852AF; NSC622116; NSC622124; AKOS015902698; DB11137; Molybdenum rod, 12.7mm (0.5in) dia; Molybdenum rod, 6.4mm (0.25in) dia; Molybdenum, ion (Mo6+) (8CI,9CI); Molybdenum powder, spherical, -170 mesh; Molybdenum foil, 1.0mm (0.04in) thick; Molybdenum foil, 0.1mm (0.004in) thick; Molybdenum foil, 0.5mm (0.02 in) thick; FT-0695133; Molybdenum foil, 0.05mm (0.002in) thick; Molybdenum plate, 2.5mm (0.098in) thick; Q1053; Molybdenum (Mo), 99.5% (metal basis) Nano; Molybdenum foil, 0.025mm (0.001in) thick; Molybdenum foil, 0.127mm (0.005in) thick; Molybdenum plate, 12.5mm (0.492in) thick; Molybdenum plate, 4.76mm (0.188in) thick; C00150; A838110; Lithium Cobalt Oxide (LiCoO2) Sputtering Targets; Molybdenum wire, 0.025mm (0.001in) dia, hard; Molybdenum wire, 0.203mm (0.008in) dia, hard; Molybdenum wire, 0.25mm (0.01in) dia, annealed; Molybdenum wire, 0.5mm (0.02in) dia, annealed; Molybdenum wire, 1.0mm (0.04in) dia, annealed; Molybdenum wire, 1.6mm (0.063in) dia, annealed; Molybdenum wire, 2.0mm (0.08in) dia, annealed; Molybdenum foil, 0.25mm (0.01in) thick, annealed; Molybdenum wire, 1.14mm (0.045in) dia, annealed; Molybdenum, rod, 50mm, diameter 5.0mm, 99.98%; Molybdenum wire, 0.013mm (0.00052in) dia, hard; Molybdenum wire, 0.127mm (0.005in) dia, annealed; Molybdenum wire, 0.375mm (0.015in) dia, annealed; Molybdenum wire, 1.58mm (0.0625in) dia, annealed; Molybdenum, pellets, 100g, max. size 10mm, 99.9%; Molybdenum, pellets, 200g, max. size 10mm, 99.9%; Molybdenum, pellets, 500g, max. size 10mm, 99.9%; Molybdenum, pellets, 50g, max. size 10mm, 99.9%; Molybdenum, rod, 100mm, diameter 5.0mm, 99.98%; Molybdenum, rod, 150mm, diameter 5.0mm, 99.98%; Q27104656; Q27113829; M087500000; Molybdenum wire, gold plated, 0.025mm (0.001in) dia; Molybdenum, foil, 1m coil, thickness 0.008mm, 99.9%; Molybdenum, foil, 1m coil, thickness 0.01mm, 99.9%; Molybdenum, foil, 4mm disks, thickness 0.01mm, 99.9%; Molybdenum, foil, 6mm disks, thickness 0.01mm, 99.9%; Molybdenum, foil, 8mm disks, thickness 0.01mm, 99.9%; Molybdenum boat, Thickness (mm), 0.05, Length (mm), 75; Molybdenum rod, 5mm (0.2in) dia, 99.97% (metals basis); Molybdenum standard for AAS, ready-to-use, in nitric acid; Molybdenum, foil, 0.2m coil, thickness 0.008mm, 99.9%; Molybdenum, foil, 0.2m coil, thickness 0.01mm, 99.9%; Molybdenum, foil, 0.5m coil, thickness 0.008mm, 99.9%; Molybdenum, foil, 0.5m coil, thickness 0.01mm, 99.9%; Molybdenum, foil, 10mm disks, thickness 0.005mm, 99.9%; Molybdenum, foil, 10mm disks, thickness 0.006mm, 99.9%; Molybdenum, foil, 10mm disks, thickness 0.007mm, 99.9%; Molybdenum, foil, 10mm disks, thickness 0.008mm, 99.9%; Molybdenum, foil, 10mm disks, thickness 0.009mm, 99.9%; Molybdenum, foil, 10mm disks, thickness 0.01mm, 99.9%; Molybdenum, foil, 15mm disks, thickness 0.005mm, 99.9%; Molybdenum, foil, 15mm disks, thickness 0.006mm, 99.9%; Molybdenum, foil, 15mm disks, thickness 0.007mm, 99.9%; Molybdenum, foil, 15mm disks, thickness 0.008mm, 99.9%; Molybdenum, foil, 15mm disks, thickness 0.009mm, 99.9%; Molybdenum, foil, 15mm disks, thickness 0.01mm, 99.9%; Molybdenum, foil, 25mm disks, thickness 0.008mm, 99.9%; Molybdenum, foil, 25mm disks, thickness 0.01mm, 99.9%; Molybdenum, foil, 4mm disks, thickness 0.005mm, 99.9%; Molybdenum, foil, 4mm disks, thickness 0.006mm, 99.9%; Molybdenum, foil, 4mm disks, thickness 0.007mm, 99.9%; Molybdenum, foil, 4mm disks, thickness 0.008mm, 99.9%; Molybdenum, foil, 4mm disks, thickness 0.009mm, 99.9%; Molybdenum, foil, 4mm disks, thickness 0.0125mm, 99.9%; Molybdenum, foil, 50mm disks, thickness 0.008mm, 99.9%; Molybdenum, foil, 50mm disks, thickness 0.01mm, 99.9%; Molybdenum, foil, 6mm disks, thickness 0.005mm, 99.9%; Molybdenum, foil, 6mm disks, thickness 0.006mm, 99.9%; Molybdenum, foil, 6mm disks, thickness 0.007mm, 99.9%; Molybdenum, foil, 6mm disks, thickness 0.008mm, 99.9%; Molybdenum, foil, 6mm disks, thickness 0.009mm, 99.9%; Molybdenum, foil, 6mm disks, thickness 0.0125mm, 99.9%; Molybdenum, foil, 8mm disks, thickness 0.005mm, 99.9%; Molybdenum, foil, 8mm disks, thickness 0.006mm, 99.9%; Molybdenum, foil, 8mm disks, thickness 0.007mm, 99.9%; Molybdenum, foil, 8mm disks, thickness 0.008mm, 99.9%; Molybdenum, foil, 8mm disks, thickness 0.009mm, 99.9%; Molybdenum, foil, 8mm disks, thickness 0.0125mm, 99.9%; Molybdenum, nut, size m3, length 10 pcs, style hexagonal; Molybdenum, nut, size m4, length 25 pcs, style hexagonal; Molybdenum, nut, size m4, length 50 pcs, style hexagonal; Molybdenum, nut, size m5, length 25 pcs, style hexagonal; Molybdenum, nut, size m5, length 50 pcs, style hexagonal; Molybdenum, nut, size m6, length 25 pcs, style hexagonal; Molybdenum, nut, size m6, length 50 pcs, style hexagonal; Molybdenum, powder, <150 mum, 99.9% trace metals basis; Molybdenum, powder, <150 mum, 99.99% trace metals basis; Molybdenum, powder, 1-5 mum, >=99.9% trace metals basis; Molybdenum, powder, 10 mum, >=99.95% trace metals basis; Molybdenum, AAS standard solution, Specpure?, Mo 1000?g/ml; Molybdenum, foil, 0.2m coil, thickness 0.0125mm, 99.9%; Molybdenum, foil, 0.5m coil, thickness 0.0125mm, 99.9%; Molybdenum, foil, 10mm disks, thickness 0.0125mm, 99.9%; Molybdenum, foil, 15mm disks, thickness 0.0125mm, 99.9%; Molybdenum, foil, 1m coil, thickness 0.1mm, annealed, 99.9%; Molybdenum, foil, 25mm disks, thickness 0.0125mm, 99.9%; Molybdenum, foil, 50mm disks, thickness 0.0125mm, 99.9%; Molybdenum, foil, 50x50mm, thickness 10mm, annealed, 99.9%; Molybdenum, Oil based standard solution, Specpure, Mo 5000g/g; Molybdenum, plasma standard solution, Specpure?, Mo 10?g/ml; Molybdenum, wire reel, 10m, diameter 0.01mm, hard, 99.8+%; Molybdenum, wire reel, 1m, diameter 0.013mm, hard, 99.8+%; Molybdenum, wire reel, 1m, diameter 0.5mm, annealed, 99.95%; Molybdenum, wire reel, 1m, diameter 0.7mm, annealed, 99.95%; Molybdenum, wire reel, 1m, diameter 0.8mm, annealed, 99.95%; Molybdenum, wire reel, 1m, diameter 1.0mm, annealed, 99.95%; Molybdenum, wire reel, 20m, diameter 0.01mm, hard, 99.8+%; Molybdenum, wire reel, 50m, diameter 0.03mm, hard, 99.95%; Molybdenum, wire reel, 5m, diameter 0.013mm, hard, 99.8+%; Molybdenum, wire reel, 5m, diameter 0.025mm, hard, 99.95%; Molybdenum, wire reel, 5m, diameter 0.03mm, hard, 99.95%; Molybdenum, wire reel, 5m, diameter 0.5mm, annealed, 99.95%; Molybdenum, wire reel, 5m, diameter 0.7mm, annealed, 99.95%; Molybdenum, wire reel, 5m, diameter 0.8mm, annealed, 99.95%; Molybdenum, wire reel, 5m, diameter 1.0mm, annealed, 99.95%; Molybdenum, wire, diam. 1.0 mm, 99.95% trace metals basis; Molybdenum, wire, straight, 1000mm, diameter 0.5mm, 99.95%; Molybdenum, wire, straight, 1000mm, diameter 1.0mm, 99.95%; Molybdenum, wire, straight, 500mm, diameter 1.0mm, 99.95%; Molybdenum, wire, straight, 600mm, diameter 0.5mm, 99.95%; Molybdenum gauze, 40 mesh woven from 0.13mm (0.005in) dia wire; Molybdenum gauze, 40 mesh woven from 0.13mm (0.005mm) dia wire; Molybdenum slug, 6.35mm (0.25in) dia x 12.7mm (0.50in) length; Molybdenum slug, 6.35mm (0.25in) dia x 6.35mm (0.25in) length; Molybdenum, foil, 0.5m coil, thickness 0.015mm, annealed, 99.9%; Molybdenum, foil, 0.5m coil, thickness 0.01mm, annealed, 99.9%; Molybdenum, foil, 0.5m coil, thickness 0.020mm, annealed, 99.9%; Molybdenum, foil, 0.5m coil, thickness 0.025mm, annealed, 99.9%; Molybdenum, foil, 0.5m coil, thickness 0.05mm, annealed, 99.9%; Molybdenum, foil, 0.5m coil, thickness 0.1mm, annealed, 99.9%; Molybdenum, foil, 100x100mm, thickness 0.15mm, annealed, 99.9%; Molybdenum, foil, 100x100mm, thickness 0.1mm, annealed, 99.9%; Molybdenum, foil, 100x100mm, thickness 0.20mm, annealed, 99.9%; Molybdenum, foil, 100x100mm, thickness 0.25mm, annealed, 99.9%; Molybdenum, foil, 100x100mm, thickness 0.30mm, annealed, 99.9%; Molybdenum, foil, 100x100mm, thickness 0.5mm, annealed, 99.9%; Molybdenum, foil, 100x100mm, thickness 0.75mm, annealed, 99.9%; Molybdenum, foil, 100x100mm, thickness 1.0mm, annealed, 99.9%; Molybdenum, foil, 100x100mm, thickness 1.0mm, annealed, 99.98%; Molybdenum, foil, 100x100mm, thickness 1.5mm, annealed, 99.9%; Molybdenum, foil, 100x100mm, thickness 2.0mm, annealed, 99.9%; Molybdenum, foil, 100x100mm, thickness 3.0mm, annealed, 99.9%; Molybdenum, foil, 10mm disks, thickness 0.015mm, annealed, 99.9%; Molybdenum, foil, 10mm disks, thickness 0.01mm, annealed, 99.9%; Molybdenum, foil, 10mm disks, thickness 0.020mm, annealed, 99.9%; Molybdenum, foil, 10mm disks, thickness 0.025mm, annealed, 99.9%; Molybdenum, foil, 10mm disks, thickness 0.03mm, annealed, 99.9%; Molybdenum, foil, 10mm disks, thickness 0.05mm, annealed, 99.9%; Molybdenum, foil, 10mm disks, thickness 0.075mm, annealed, 99.9%; Molybdenum, foil, 10mm disks, thickness 0.125mm, annealed, 99.9%; Molybdenum, foil, 10mm disks, thickness 0.15mm, annealed, 99.9%; Molybdenum, foil, 10mm disks, thickness 0.1mm, annealed, 99.9%; Molybdenum, foil, 10mm disks, thickness 0.20mm, annealed, 99.9%; Molybdenum, foil, 10mm disks, thickness 0.25mm, annealed, 99.9%; Molybdenum, foil, 10mm disks, thickness 0.30mm, annealed, 99.9%; Molybdenum, foil, 10mm disks, thickness 0.5mm, annealed, 99.9%; Molybdenum, foil, 10mm disks, thickness 0.75mm, annealed, 99.9%; Molybdenum, foil, 150x150mm, thickness 0.15mm, annealed, 99.9%; Molybdenum, foil, 150x150mm, thickness 0.1mm, annealed, 99.9%; Molybdenum, foil, 150x150mm, thickness 0.20mm, annealed, 99.9%; Molybdenum, foil, 150x150mm, thickness 0.25mm, annealed, 99.9%; Molybdenum, foil, 150x150mm, thickness 0.30mm, annealed, 99.9%; Molybdenum, foil, 150x150mm, thickness 0.5mm, annealed, 99.9%; Molybdenum, foil, 150x150mm, thickness 1.0mm, annealed, 99.9%; Molybdenum, foil, 150x150mm, thickness 1.0mm, annealed, 99.98%; Molybdenum, foil, 150x150mm, thickness 2.0mm, annealed, 99.9%; Molybdenum, foil, 15mm disks, thickness 0.015mm, annealed, 99.9%; Molybdenum, foil, 15mm disks, thickness 0.01mm, annealed, 99.9%; Molybdenum, foil, 15mm disks, thickness 0.020mm, annealed, 99.9%; Molybdenum, foil, 15mm disks, thickness 0.025mm, annealed, 99.9%; Molybdenum, foil, 15mm disks, thickness 0.03mm, annealed, 99.9%; Molybdenum, foil, 15mm disks, thickness 0.05mm, annealed, 99.9%; Molybdenum, foil, 15mm disks, thickness 0.075mm, annealed, 99.9%; Molybdenum, foil, 15mm disks, thickness 0.125mm, annealed, 99.9%; Molybdenum, foil, 15mm disks, thickness 0.15mm, annealed, 99.9%; Molybdenum, foil, 15mm disks, thickness 0.1mm, annealed, 99.9%; Molybdenum, foil, 15mm disks, thickness 0.20mm, annealed, 99.9%; Molybdenum, foil, 15mm disks, thickness 0.25mm, annealed, 99.9%; Molybdenum, foil, 15mm disks, thickness 0.30mm, annealed, 99.9%; Molybdenum, foil, 15mm disks, thickness 0.5mm, annealed, 99.9%; Molybdenum, foil, 15mm disks, thickness 0.75mm, annealed, 99.9%; Molybdenum, foil, 1m coil, thickness 0.015mm, annealed, 99.9%; Molybdenum, foil, 1m coil, thickness 0.015mm, as rolled, 99.9%; Molybdenum, foil, 1m coil, thickness 0.01mm, annealed, 99.9%; Molybdenum, foil, 1m coil, thickness 0.020mm, annealed, 99.9%; Molybdenum, foil, 1m coil, thickness 0.025mm, annealed, 99.9%; Molybdenum, foil, 200x200mm, thickness 0.75mm, annealed, 99.9%; Molybdenum, foil, 250x300mm, thickness 0.1mm, annealed, 99.9%; Molybdenum, foil, 25mm disks, thickness 0.015mm, annealed, 99.9%; Molybdenum, foil, 25mm disks, thickness 0.01mm, annealed, 99.9%; Molybdenum, foil, 25mm disks, thickness 0.020mm, annealed, 99.9%; Molybdenum, foil, 25mm disks, thickness 0.025mm, annealed, 99.9%; Molybdenum, foil, 25mm disks, thickness 0.03mm, annealed, 99.9%; Molybdenum, foil, 25mm disks, thickness 0.05mm, annealed, 99.9%; Molybdenum, foil, 25mm disks, thickness 0.075mm, annealed, 99.9%; Molybdenum, foil, 25mm disks, thickness 0.125mm, annealed, 99.9%; Molybdenum, foil, 25mm disks, thickness 0.15mm, annealed, 99.9%; Molybdenum, foil, 25mm disks, thickness 0.1mm, annealed, 99.9%; Molybdenum, foil, 25mm disks, thickness 0.20mm, annealed, 99.9%; Molybdenum, foil, 25mm disks, thickness 0.25mm, annealed, 99.9%; Molybdenum, foil, 25mm disks, thickness 0.30mm, annealed, 99.9%; Molybdenum, foil, 25mm disks, thickness 0.5mm, annealed, 99.9%; Molybdenum, foil, 25mm disks, thickness 0.75mm, annealed, 99.9%; Molybdenum, foil, 25x25mm, thickness 0.125mm, annealed, 99.9%; Molybdenum, foil, 25x25mm, thickness 0.15mm, annealed, 99.9%; Molybdenum, foil, 25x25mm, thickness 0.1mm, annealed, 99.9%; Molybdenum, foil, 25x25mm, thickness 0.20mm, annealed, 99.9%; Molybdenum, foil, 25x25mm, thickness 0.25mm, annealed, 99.9%; Molybdenum, foil, 25x25mm, thickness 0.30mm, annealed, 99.9%; Molybdenum, foil, 25x25mm, thickness 0.5mm, annealed, 99.9%; Molybdenum, foil, 25x25mm, thickness 0.75mm, annealed, 99.9%; Molybdenum, foil, 25x25mm, thickness 1.0mm, annealed, 99.9%; Molybdenum, foil, 300x300mm, thickness 0.15mm, annealed, 99.9%; Molybdenum, foil, 300x300mm, thickness 0.20mm, annealed, 99.9%; Molybdenum, foil, 300x300mm, thickness 0.25mm, annealed, 99.9%; Molybdenum, foil, 300x300mm, thickness 0.30mm, annealed, 99.9%; Molybdenum, foil, 300x300mm, thickness 0.5mm, annealed, 99.9%; Molybdenum, foil, 34mm disks, thickness 10mm, annealed, 99.9%; Molybdenum, foil, 4mm disks, thickness 0.015mm, annealed, 99.9%; Molybdenum, foil, 4mm disks, thickness 0.015mm, as rolled, 99.9%; Molybdenum, foil, 4mm disks, thickness 0.01mm, annealed, 99.9%; Molybdenum, foil, 4mm disks, thickness 0.020mm, annealed, 99.9%; Molybdenum, foil, 4mm disks, thickness 0.025mm, annealed, 99.9%; Molybdenum, foil, 4mm disks, thickness 0.03mm, annealed, 99.9%; Molybdenum, foil, 4mm disks, thickness 0.05mm, annealed, 99.9%; Molybdenum, foil, 4mm disks, thickness 0.075mm, annealed, 99.9%; Molybdenum, foil, 4mm disks, thickness 0.125mm, annealed, 99.9%; Molybdenum, foil, 4mm disks, thickness 0.15mm, annealed, 99.9%; Molybdenum, foil, 4mm disks, thickness 0.1mm, annealed, 99.9%; Molybdenum, foil, 4mm disks, thickness 0.20mm, annealed, 99.9%; Molybdenum, foil, 4mm disks, thickness 0.25mm, annealed, 99.9%; Molybdenum, foil, 4mm disks, thickness 0.30mm, annealed, 99.9%; Molybdenum, foil, 4mm disks, thickness 0.5mm, annealed, 99.9%; Molybdenum, foil, 4mm disks, thickness 0.75mm, annealed, 99.9%; Molybdenum, foil, 50mm disks, thickness 0.015mm, annealed, 99.9%; Molybdenum, foil, 50mm disks, thickness 0.01mm, annealed, 99.9%; Molybdenum, foil, 50mm disks, thickness 0.020mm, annealed, 99.9%; Molybdenum, foil, 50mm disks, thickness 0.025mm, annealed, 99.9%; Molybdenum, foil, 50mm disks, thickness 0.03mm, annealed, 99.9%; Molybdenum, foil, 50mm disks, thickness 0.05mm, annealed, 99.9%; Molybdenum, foil, 50mm disks, thickness 0.075mm, annealed, 99.9%; Molybdenum, foil, 50mm disks, thickness 0.125mm, annealed, 99.9%; Molybdenum, foil, 50mm disks, thickness 0.15mm, annealed, 99.9%; Molybdenum, foil, 50mm disks, thickness 0.1mm, annealed, 99.9%; Molybdenum, foil, 50mm disks, thickness 0.20mm, annealed, 99.9%; Molybdenum, foil, 50mm disks, thickness 0.25mm, annealed, 99.9%; Molybdenum, foil, 50mm disks, thickness 0.30mm, annealed, 99.9%; Molybdenum, foil, 50mm disks, thickness 0.5mm, annealed, 99.9%; Molybdenum, foil, 50mm disks, thickness 0.75mm, annealed, 99.9%; Molybdenum, foil, 50x50mm, thickness 0.125mm, annealed, 99.9%; Molybdenum, foil, 50x50mm, thickness 0.15mm, annealed, 99.9%; Molybdenum, foil, 50x50mm, thickness 0.1mm, annealed, 99.9%; Molybdenum, foil, 50x50mm, thickness 0.20mm, annealed, 99.9%; Molybdenum, foil, 50x50mm, thickness 0.25mm, annealed, 99.9%; Molybdenum, foil, 50x50mm, thickness 0.30mm, annealed, 99.9%; Molybdenum, foil, 50x50mm, thickness 0.5mm, annealed, 99.9%; Molybdenum, foil, 50x50mm, thickness 0.75mm, annealed, 99.9%; Molybdenum, foil, 50x50mm, thickness 1.0mm, annealed, 99.9%; Molybdenum, foil, 50x50mm, thickness 1.0mm, annealed, 99.98%; Molybdenum, foil, 50x50mm, thickness 1.5mm, annealed, 99.9%; Molybdenum, foil, 50x50mm, thickness 2.0mm, annealed, 99.9%; Molybdenum, foil, 6mm disks, thickness 0.015mm, annealed, 99.9%; Molybdenum, foil, 6mm disks, thickness 0.015mm, as rolled, 99.9%; Molybdenum, foil, 6mm disks, thickness 0.01mm, annealed, 99.9%; Molybdenum, foil, 6mm disks, thickness 0.020mm, annealed, 99.9%; Molybdenum, foil, 6mm disks, thickness 0.025mm, annealed, 99.9%; Molybdenum, foil, 6mm disks, thickness 0.03mm, annealed, 99.9%; Molybdenum, foil, 6mm disks, thickness 0.05mm, annealed, 99.9%; Molybdenum, foil, 6mm disks, thickness 0.075mm, annealed, 99.9%; Molybdenum, foil, 6mm disks, thickness 0.125mm, annealed, 99.9%; Molybdenum, foil, 6mm disks, thickness 0.15mm, annealed, 99.9%; Molybdenum, foil, 6mm disks, thickness 0.1mm, annealed, 99.9%; Molybdenum, foil, 6mm disks, thickness 0.20mm, annealed, 99.9%; Molybdenum, foil, 6mm disks, thickness 0.25mm, annealed, 99.9%; Molybdenum, foil, 6mm disks, thickness 0.30mm, annealed, 99.9%; Molybdenum, foil, 6mm disks, thickness 0.5mm, annealed, 99.9%; Molybdenum, foil, 6mm disks, thickness 0.75mm, annealed, 99.9%; Molybdenum, foil, 8mm disks, thickness 0.015mm, annealed, 99.9%; Molybdenum, foil, 8mm disks, thickness 0.015mm, as rolled, 99.9%; Molybdenum, foil, 8mm disks, thickness 0.01mm, annealed, 99.9%; Molybdenum, foil, 8mm disks, thickness 0.020mm, annealed, 99.9%; Molybdenum, foil, 8mm disks, thickness 0.025mm, annealed, 99.9%; Molybdenum, foil, 8mm disks, thickness 0.03mm, annealed, 99.9%; Molybdenum, foil, 8mm disks, thickness 0.05mm, annealed, 99.9%; Molybdenum, foil, 8mm disks, thickness 0.075mm, annealed, 99.9%; Molybdenum, foil, 8mm disks, thickness 0.125mm, annealed, 99.9%; Molybdenum, foil, 8mm disks, thickness 0.15mm, annealed, 99.9%; Molybdenum, foil, 8mm disks, thickness 0.1mm, annealed, 99.9%; Molybdenum, foil, 8mm disks, thickness 0.20mm, annealed, 99.9%; Molybdenum, foil, 8mm disks, thickness 0.25mm, annealed, 99.9%; Molybdenum, foil, 8mm disks, thickness 0.30mm, annealed, 99.9%; Molybdenum, foil, 8mm disks, thickness 0.5mm, annealed, 99.9%; Molybdenum, foil, 8mm disks, thickness 0.75mm, annealed, 99.9%; Molybdenum, foil, thickness 0.025 mm, >=99.9% trace metals basis; Molybdenum, foil, thickness 0.05 mm, >=99.9% trace metals basis; Molybdenum, foil, thickness 0.1 mm, >=99.9% trace metals basis; Molybdenum, foil, thickness 1.0 mm, >=99.9% trace metals basis; Molybdenum, rod, 1000mm, diameter 12mm, centerless ground, 99.9%; Molybdenum, rod, 100mm, diameter 1.5mm, centerless ground, 99.9%; Molybdenum, rod, 100mm, diameter 12mm, centerless ground, 99.9%; Molybdenum, rod, 100mm, diameter 2.0mm, centerless ground, 99.9%; Molybdenum, rod, 100mm, diameter 25mm, centerless ground, 99.9%; Molybdenum, rod, 100mm, diameter 3.0mm, centerless ground, 99.9%; Molybdenum, rod, 100mm, diameter 30mm, centerless ground, 99.9%; Molybdenum, rod, 100mm, diameter 4.0mm, centerless ground, 99.9%; Molybdenum, rod, 100mm, diameter 5.0mm, centerless ground, 99.9%; Molybdenum, rod, 100mm, diameter 6.0mm, centerless ground, 99.9%; Molybdenum, rod, 100mm, diameter 8.0mm, centerless ground, 99.9%; Molybdenum, rod, 15.0 mm diameter, length 100 mm, purity 99.9%; Molybdenum, rod, 200mm, diameter 1.5mm, centerless ground, 99.9%; Molybdenum, rod, 200mm, diameter 12mm, centerless ground, 99.9%; Molybdenum, rod, 200mm, diameter 2.0mm, centerless ground, 99.9%; Molybdenum, rod, 200mm, diameter 25mm, centerless ground, 99.9%; Molybdenum, rod, 200mm, diameter 3.0mm, centerless ground, 99.9%; Molybdenum, rod, 200mm, diameter 4.0mm, centerless ground, 99.9%; Molybdenum, rod, 200mm, diameter 5.0mm, centerless ground, 99.9%; Molybdenum, rod, 200mm, diameter 6.0mm, centerless ground, 99.9%; Molybdenum, rod, 200mm, diameter 8.0mm, centerless ground, 99.9%; Molybdenum, rod, 25mm, diameter 25mm, centerless ground, 99.9%; Molybdenum, rod, 300mm, diameter 6.0mm, centerless ground, 99.9%; Molybdenum, rod, 500mm, diameter 1.5mm, centerless ground, 99.9%; Molybdenum, rod, 500mm, diameter 12mm, centerless ground, 99.9%; Molybdenum, rod, 500mm, diameter 2.0mm, centerless ground, 99.9%; Molybdenum, rod, 500mm, diameter 3.0mm, centerless ground, 99.9%; Molybdenum, rod, 500mm, diameter 4.0mm, centerless ground, 99.9%; Molybdenum, rod, 500mm, diameter 5.0mm, centerless ground, 99.9%; Molybdenum, rod, 500mm, diameter 6.0mm, centerless ground, 99.9%; Molybdenum, rod, 500mm, diameter 8.0mm, centerless ground, 99.9%; Molybdenum, rod, 50mm, diameter 15.0mm, centerless ground, 99.9%; Molybdenum, rod, 50mm, diameter 20.0mm, centerless ground, 99.9%; Molybdenum, rod, 50mm, diameter 25mm, centerless ground, 99.9%; Molybdenum, rod, 50mm, diameter 30mm, centerless ground, 99.9%; Molybdenum, wire reel, 0.5m, diameter 1.25mm, annealed, 99.95%; Molybdenum, wire reel, 1000m, diameter 0.025mm, hard, 99.95%; Molybdenum, wire reel, 1000m, diameter 0.03mm, hard, 99.95%; Molybdenum, wire reel, 1000m, diameter 0.05mm, annealed, 99.95%; Molybdenum, wire reel, 100m, diameter 0.013mm, hard, 99.8+%; Molybdenum, wire reel, 100m, diameter 0.025mm, hard, 99.95%; Molybdenum, wire reel, 100m, diameter 0.03mm, hard, 99.95%; Molybdenum, wire reel, 100m, diameter 0.125mm, annealed, 99.95%; Molybdenum, wire reel, 100m, diameter 0.25mm, annealed, 99.95%; Molybdenum, wire reel, 100m, diameter 0.2mm, as drawn, 99.95%; Molybdenum, wire reel, 100m, diameter 0.30mm, annealed, 99.95%; Molybdenum, wire reel, 100m, diameter 0.5mm, annealed, 99.95%; Molybdenum, wire reel, 100m, diameter 0.75mm, annealed, 99.95%; Molybdenum, wire reel, 100m, diameter 0.7mm, annealed, 99.95%; Molybdenum, wire reel, 100m, diameter 0.8mm, annealed, 99.95%; Molybdenum, wire reel, 100m, diameter 1.0mm, annealed, 99.95%; Molybdenum, wire reel, 100m, diameter 1.25mm, annealed, 99.95%; Molybdenum, wire reel, 10m, diameter 0.013mm, hard, 99.8+%; Molybdenum, wire reel, 10m, diameter 0.05mm, annealed, 99.95%; Molybdenum, wire reel, 10m, diameter 0.25mm, annealed, 99.95%; Molybdenum, wire reel, 10m, diameter 0.2mm, as drawn, 99.95%; Molybdenum, wire reel, 10m, diameter 0.30mm, annealed, 99.95%; Molybdenum, wire reel, 10m, diameter 0.5mm, annealed, 99.95%; Molybdenum, wire reel, 10m, diameter 0.75mm, annealed, 99.95%; Molybdenum, wire reel, 10m, diameter 0.7mm, annealed, 99.95%; Molybdenum, wire reel, 10m, diameter 0.8mm, annealed, 99.95%; Molybdenum, wire reel, 10m, diameter 1.0mm, annealed, 99.95%; Molybdenum, wire reel, 1m, diameter 0.75mm, annealed, 99.95%; Molybdenum, wire reel, 1m, diameter 1.25mm, annealed, 99.95%; Molybdenum, wire reel, 2000m, diameter 0.025mm, hard, 99.95%; Molybdenum, wire reel, 2000m, diameter 0.03mm, hard, 99.95%; Molybdenum, wire reel, 2000m, diameter 0.05mm, annealed, 99.95%; Molybdenum, wire reel, 200m, diameter 0.25mm, annealed, 99.95%; Molybdenum, wire reel, 200m, diameter 0.2mm, as drawn, 99.95%; Molybdenum, wire reel, 200m, diameter 0.30mm, annealed, 99.95%; Molybdenum, wire reel, 200m, diameter 0.5mm, annealed, 99.95%; Molybdenum, wire reel, 20m, diameter 0.013mm, hard, 99.8+%; Molybdenum, wire reel, 250m, diameter 0.05mm, annealed, 99.95%; Molybdenum, wire reel, 25m, diameter 0.125mm, annealed, 99.95%; Molybdenum, wire reel, 25m, diameter 1.0mm, annealed, 99.95%; Molybdenum, wire reel, 25m, diameter 1.25mm, annealed, 99.95%; Molybdenum, wire reel, 2m, diameter 0.25mm, annealed, 99.95%; Molybdenum, wire reel, 2m, diameter 0.2mm, as drawn, 99.95%; Molybdenum, wire reel, 2m, diameter 0.30mm, annealed, 99.95%; Molybdenum, wire reel, 500m, diameter 0.025mm, hard, 99.95%; Molybdenum, wire reel, 500m, diameter 0.03mm, hard, 99.95%; Molybdenum, wire reel, 500m, diameter 0.05mm, annealed, 99.95%; Molybdenum, wire reel, 500m, diameter 0.125mm, annealed, 99.95%; Molybdenum, wire reel, 50m, diameter 0.013mm, hard, 99.8+%; Molybdenum, wire reel, 50m, diameter 0.025mm, hard, 99.95%; Molybdenum, wire reel, 50m, diameter 0.035mm, as drawn, 99.95%; Molybdenum, wire reel, 50m, diameter 0.05mm, annealed, 99.95%; Molybdenum, wire reel, 50m, diameter 0.125mm, annealed, 99.95%; Molybdenum, wire reel, 50m, diameter 0.25mm, annealed, 99.95%; Molybdenum, wire reel, 50m, diameter 0.2mm, as drawn, 99.95%; Molybdenum, wire reel, 50m, diameter 0.30mm, annealed, 99.95%; Molybdenum, wire reel, 50m, diameter 0.5mm, annealed, 99.95%; Molybdenum, wire reel, 50m, diameter 0.75mm, annealed, 99.95%; Molybdenum, wire reel, 50m, diameter 0.7mm, annealed, 99.95%; Molybdenum, wire reel, 50m, diameter 0.8mm, annealed, 99.95%; Molybdenum, wire reel, 50m, diameter 1.0mm, annealed, 99.95%; Molybdenum, wire reel, 50m, diameter 1.25mm, annealed, 99.95%; Molybdenum, wire reel, 5m, diameter 0.035mm, as drawn, 99.95%; Molybdenum, wire reel, 5m, diameter 0.05mm, gold plated, 99.95%; Molybdenum, wire reel, 5m, diameter 0.125mm, annealed, 99.95%; Molybdenum, wire reel, 5m, diameter 0.75mm, annealed, 99.95%; Molybdenum, wire reel, 5m, diameter 1.25mm, annealed, 99.95%; Molybdenum, wire, 0.075 mm diameter, length 10 m, purity 99.95%; Molybdenum, wire, 0.075 mm diameter, length 50 m, purity 99.95%; Molybdenum, wire, 0.635 mm diameter, length 1 m, purity 99.95%; Molybdenum, wire, straight, 1000mm, diameter 0.25mm, 99.95%; Molybdenum gauze, 35 mesh woven from 0.0509mm (0.002in) dia wire; Molybdenum slug, 3.175mm (0.125in) dia x 3.175mm (0.125in) length; Molybdenum slug, 3.175mm (0.125in) dia x 6.35mm (0.25in) length; Molybdenum, Bolt, size m3 x 30 mm, length 10 pcs, head style hexagonal; Molybdenum, bolt, size m4 x 30 mm, length 25 pcs, head style hexagonal; Molybdenum, Bolt, size m4 x 30 mm, length 50 pcs, head style hexagonal; Molybdenum, Bolt, size m5 x 30 mm, length 25 pcs, head style hexagonal; Molybdenum, Bolt, size m5 x 30 mm, length 50 pcs, head style hexagonal; Molybdenum, Bolt, size m6 x 30 mm, length 25 pcs, head style hexagonal; Molybdenum, bolt, size m6 x 30 mm, length 50 pcs, head style hexagonal; Molybdenum, crucible, cylindrical, length 1 pcs, outside diameter 33mm; Molybdenum, crucible, cylindrical, length 1 pcs, outside diameter 59mm; Molybdenum, crucible, cylindrical, outside diameter 47mm, length 1 pcs; Molybdenum, foil, 0.5m coil, thickness 0.015mm, as rolled, 99.9%; Molybdenum, foil, 100x100mm, thickness 0.125mm, annealed, 99.9%; Molybdenum, foil, 10mm disks, thickness 0.015mm, as rolled, 99.9%; Molybdenum, foil, 150x150mm, thickness 0.125mm, annealed, 99.9%; Molybdenum, foil, 15mm disks, thickness 0.015mm, as rolled, 99.9%; Molybdenum, foil, 25mm disks, thickness 0.015mm, as rolled, 99.9%; Molybdenum, foil, 300x300mm, thickness 0.125mm, annealed, 99.9%; Molybdenum, foil, 50mm disks, thickness 0.015mm, as rolled, 99.9%; Molybdenum, foil, light tested, 100x100mm, thickness 0.008mm, 99.9%; Molybdenum, foil, light tested, 100x100mm, thickness 0.0125mm, 99.9%; Molybdenum, foil, light tested, 100x100mm, thickness 0.01mm, 99.9%; Molybdenum, foil, light tested, 25x25mm, thickness 0.004mm, 99.9%; Molybdenum, foil, light tested, 25x25mm, thickness 0.005mm, 99.9%; Molybdenum, foil, light tested, 25x25mm, thickness 0.007mm, 99.9%; Molybdenum, foil, light tested, 25x25mm, thickness 0.008mm, 99.9%; Molybdenum, foil, light tested, 25x25mm, thickness 0.009mm, 99.9%; Molybdenum, foil, light tested, 25x25mm, thickness 0.0125mm, 99.9%; Molybdenum, foil, light tested, 25x25mm, thickness 0.01mm, 99.9%; Molybdenum, foil, light tested, 50x50mm, thickness 0.006mm, 99.9%; Molybdenum, foil, light tested, 50x50mm, thickness 0.007mm, 99.9%; Molybdenum, foil, light tested, 50x50mm, thickness 0.008mm, 99.9%; Molybdenum, foil, light tested, 50x50mm, thickness 0.009mm, 99.9%; Molybdenum, foil, light tested, 50x50mm, thickness 0.0125mm, 99.9%; Molybdenum, foil, light tested, 50x50mm, thickness 0.01mm, 99.9%; Molybdenum, foil, not light tested, 100x100mm, thickness 0.004mm, 99.9%; Molybdenum, foil, not light tested, 100x100mm, thickness 0.005mm, 99.9%; Molybdenum, foil, not light tested, 100x100mm, thickness 0.006mm, 99.9%; Molybdenum, foil, not light tested, 100x100mm, thickness 0.007mm, 99.9%; Molybdenum, foil, not light tested, 100x100mm, thickness 0.008mm, 99.9%; Molybdenum, foil, not light tested, 100x100mm, thickness 0.009mm, 99.9%; Molybdenum, foil, not light tested, 100x100mm, thickness 0.01mm, 99.9%; Molybdenum, foil, not light tested, 150x150mm, thickness 0.008mm, 99.9%; Molybdenum, foil, not light tested, 25x25mm, thickness 0.001mm, 99.9%; Molybdenum, foil, not light tested, 25x25mm, thickness 0.0025mm, 99.9%; Molybdenum, foil, not light tested, 25x25mm, thickness 0.002mm, 99.9%; Molybdenum, foil, not light tested, 25x25mm, thickness 0.003mm, 99.9%; Molybdenum, foil, not light tested, 25x25mm, thickness 0.004mm, 99.9%; Molybdenum, foil, not light tested, 25x25mm, thickness 0.005mm, 99.9%; Molybdenum, foil, not light tested, 25x25mm, thickness 0.006mm, 99.9%; Molybdenum, foil, not light tested, 25x25mm, thickness 0.008mm, 99.9%; Molybdenum, foil, not light tested, 25x25mm, thickness 0.0125mm, 99.9%; Molybdenum, foil, not light tested, 25x25mm, thickness 0.01mm, 99.9%; Molybdenum, foil, not light tested, 50x50mm, thickness 0.001mm, 99.9%; Molybdenum, foil, not light tested, 50x50mm, thickness 0.0025mm, 99.9%; Molybdenum, foil, not light tested, 50x50mm, thickness 0.002mm, 99.9%; Molybdenum, foil, not light tested, 50x50mm, thickness 0.003mm, 99.9%; Molybdenum, foil, not light tested, 50x50mm, thickness 0.004mm, 99.9%; Molybdenum, foil, not light tested, 50x50mm, thickness 0.005mm, 99.9%; Molybdenum, foil, not light tested, 50x50mm, thickness 0.006mm, 99.9%; Molybdenum, foil, not light tested, 50x50mm, thickness 0.007mm, 99.9%; Molybdenum, foil, not light tested, 50x50mm, thickness 0.008mm, 99.9%; Molybdenum, foil, not light tested, 50x50mm, thickness 0.009mm, 99.9%; Molybdenum, foil, not light tested, 50x50mm, thickness 0.0125mm, 99.9%; Molybdenum, foil, not light tested, 50x50mm, thickness 0.01mm, 99.9%; Molybdenum, foil, thickness 0.01 mm, size 150 x 150 mm, purity 99.9%; Molybdenum, foil, thickness 0.015 mm, size 100 x 100 mm, purity 99.9%; Molybdenum, foil, thickness 0.015 mm, size 25 x 25 mm, purity 99.9%; Molybdenum, foil, thickness 0.015 mm, size 50 x 50 mm, purity 99.9%; Molybdenum, foil, thickness 0.020 mm, size 100 x 100 mm, purity 99.9%; Molybdenum, foil, thickness 0.020 mm, size 25 x 25 mm, purity 99.9%; Molybdenum, foil, thickness 0.020 mm, size 50 x 50 mm, purity 99.9%; Molybdenum, foil, thickness 0.025 mm, purity 99.9%, size 25 x 25 mm; Molybdenum, foil, thickness 0.025 mm, size 100 x 100 mm, purity 99.9%; Molybdenum, foil, thickness 0.025 mm, size 50 x 50 mm, purity 99.9%; Molybdenum, foil, thickness 0.03 mm, size 100 x 100 mm, purity 99.9%; Molybdenum, foil, thickness 0.03 mm, size 25 x 25 mm, purity 99.9%; Molybdenum, foil, thickness 0.03 mm, size 50 x 50 mm, purity 99.9%; Molybdenum, foil, thickness 2.0 mm, size 20 x 20 mm, purity 99.9%; Molybdenum, rod, 1000mm, diameter 1.25mm, centerless ground, 99.9%; Molybdenum, rod, 1000mm, diameter 1.5mm, centerless ground, 99.9%; Molybdenum, rod, 1000mm, diameter 10.0mm, centerless ground, 99.9%; Molybdenum, rod, 1000mm, diameter 2.0mm, centerless ground, 99.9%; Molybdenum, rod, 1000mm, diameter 3.0mm, centerless ground, 99.9%; Molybdenum, rod, 1000mm, diameter 4.0mm, centerless ground, 99.9%; Molybdenum, rod, 1000mm, diameter 5.0mm, centerless ground, 99.9%; Molybdenum, rod, 1000mm, diameter 6.0mm, centerless ground, 99.9%; Molybdenum, rod, 1000mm, diameter 8.0mm, centerless ground, 99.9%; Molybdenum, rod, 100mm, diameter 1.25mm, centerless ground, 99.9%; Molybdenum, rod, 100mm, diameter 10.0mm, centerless ground, 99.9%; Molybdenum, rod, 100mm, diameter 15.0mm, centerless ground, 99.9%; Molybdenum, rod, 100mm, diameter 20.0mm, centerless ground, 99.9%; Molybdenum, rod, 200mm, diameter 1.25mm, centerless ground, 99.9%; Molybdenum, rod, 200mm, diameter 10.0mm, centerless ground, 99.9%; Molybdenum, rod, 200mm, diameter 15.0mm, centerless ground, 99.9%; Molybdenum, rod, 200mm, diameter 20.0mm, centerless ground, 99.9%; Molybdenum, rod, 500mm, diameter 1.25mm, centerless ground, 99.9%; Molybdenum, rod, 500mm, diameter 10.0mm, centerless ground, 99.9%; Molybdenum, rod, 500mm, diameter 15.0mm, centerless ground, 99.9%; Molybdenum, wire reel, 1000m, diameter 0.035mm, as drawn, 99.95%; Molybdenum, wire reel, 1000m, diameter 0.125mm, annealed, 99.95%; Molybdenum, wire reel, 100m, diameter 0.025mm, gold plated, 99.95%; Molybdenum, wire reel, 100m, diameter 0.035mm, as drawn, 99.95%; Molybdenum, wire reel, 100m, diameter 0.05mm, gold plated, 99.95%; Molybdenum, wire reel, 10m, diameter 0.015mm, gold plated, 99.95%; Molybdenum, wire reel, 10m, diameter 0.025mm, gold plated, 99.95%; Molybdenum, wire reel, 10m, diameter 0.05mm, gold plated, 99.95%; Molybdenum, wire reel, 2000m, diameter 0.035mm, as drawn, 99.95%; Molybdenum, wire reel, 200m, diameter 0.025mm, gold plated, 99.95%; Molybdenum, wire reel, 200m, diameter 0.05mm, gold plated, 99.95%; Molybdenum, wire reel, 20m, diameter 0.015mm, gold plated, 99.95%; Molybdenum, wire reel, 20m, diameter 0.025mm, gold plated, 99.95%; Molybdenum, wire reel, 20m, diameter 0.05mm, gold plated, 99.95%; Molybdenum, wire reel, 500m, diameter 0.035mm, as drawn, 99.95%; Molybdenum, wire reel, 50m, diameter 0.015mm, gold plated, 99.95%; Molybdenum, wire reel, 50m, diameter 0.025mm, gold plated, 99.95%; Molybdenum, wire reel, 50m, diameter 0.05mm, gold plated, 99.95%; Molybdenum, wire reel, 5m, diameter 0.015mm, gold plated, 99.95%; Molybdenum, wire reel, 5m, diameter 0.025mm, gold plated, 99.95%; Molybdenum, wire, 0.075 mm diameter, length 1000 m, purity 99.95%; Molybdenum, wire, 0.075 mm diameter, length 2000 m, purity 99.95%; Molybdenum, wire, 0.075 mm diameter, length 250 m, purity 99.95%; Molybdenum, wire, 0.075 mm diameter, length 500 m, purity 99.95%; Molybdenum slug, 6.35mm (0.25in) dia x 12.7mm (0.50in) length, 99.95% (metals basis); Molybdenum slug, 6.35mm (0.25in) dia x 6.35mm (0.25in) length, 99.95% (metals basis); Molybdenum sputtering target, 50.8mm (2.0in) dia x 3.18mm (0.125in) thick; Molybdenum sputtering target, 50.8mm (2.0in) dia x 6.35mm (0.250in) thick; Molybdenum sputtering target, 76.2mm (3.0in) dia x 3.18mm (0.125in) thick; Molybdenum sputtering target, 76.2mm (3.0in) dia x 6.35mm (0.250in) thick; Molybdenum wire, gold plated, 0.025mm (0.001in) dia, 99.95% (metals basis); Molybdenum, foil, 0.5m coil, thickness 0.04mm, coil width 0.7mm, annealed, 99.9%; Molybdenum, foil, 100x100mm, thickness 0.25mm, annealed, polished on both sides, 99.9%; Molybdenum, foil, 100x100mm, thickness 0.5mm, polished on both sides, 99.9%; Molybdenum, foil, 10m coil, thickness 0.04mm, coil width 0.7mm, annealed, 99.9%; Molybdenum, foil, 1m coil, thickness 0.04mm, coil width 0.7mm, annealed, 99.9%; Molybdenum, foil, 20m coil, thickness 0.04mm, coil width 0.7mm, annealed, 99.9%; Molybdenum, foil, 2m coil, thickness 0.04mm, coil width 0.7mm, annealed, 99.9%; Molybdenum, foil, 50x50mm, thickness 0.25mm, annealed, polished on both sides, 99.9%; Molybdenum, foil, 50x50mm, thickness 0.5mm, polished on both sides, 99.9%; Molybdenum, foil, 5m coil, thickness 0.04mm, coil width 0.7mm, annealed, 99.9%; Molybdenum, foil, light tested, 100x100mm, thickness 0.01mm, annealed, 99.9%; Molybdenum, foil, light tested, 100x100mm, thickness 0.025mm, annealed, 99.9%; Molybdenum, foil, light tested, 100x100mm, thickness 0.05mm, annealed, 99.9%; Molybdenum, foil, light tested, 100x100mm, thickness 0.075mm, annealed, 99.9%; Molybdenum, foil, light tested, 130x130mm, thickness 0.015mm, as rolled, 99.9%; Molybdenum, foil, light tested, 150x150mm, thickness 0.05mm, annealed, 99.9%; Molybdenum, foil, light tested, 150x150mm, thickness 0.075mm, annealed, 99.9%; Molybdenum, foil, light tested, 200x200mm, thickness 0.025mm, annealed, 99.9%; Molybdenum, foil, light tested, 25x25mm, thickness 0.01mm, annealed, 99.9%; Molybdenum, foil, light tested, 25x25mm, thickness 0.020mm, annealed, 99.9%; Molybdenum, foil, light tested, 25x25mm, thickness 0.05mm, annealed, 99.9%; Molybdenum, foil, light tested, 25x25mm, thickness 0.075mm, annealed, 99.9%; Molybdenum, foil, light tested, 29x100mm, thickness 0.0712mm, annealed, 99.9%; Molybdenum, foil, light tested, 29x200mm, thickness 0.0712mm, annealed, 99.9%; Molybdenum, foil, light tested, 29x500mm, thickness 0.0712mm, annealed, 99.9%; Molybdenum, foil, light tested, 29x600mm, thickness 0.0712mm, annealed, 99.9%; Molybdenum, foil, light tested, 300x300mm, thickness 0.05mm, annealed, 99.9%; Molybdenum, foil, light tested, 300x300mm, thickness 0.075mm, annealed, 99.9%; Molybdenum, foil, light tested, 30x30mm, thickness 0.015mm, as rolled, 99.9%; Molybdenum, foil, light tested, 50x50mm, thickness 0.01mm, annealed, 99.9%; Molybdenum, foil, light tested, 50x50mm, thickness 0.020mm, annealed, 99.9%; Molybdenum, foil, light tested, 50x50mm, thickness 0.05mm, annealed, 99.9%; Molybdenum, foil, light tested, 50x50mm, thickness 0.075mm, annealed, 99.9%; Molybdenum, foil, light tested, 60x60mm, thickness 0.015mm, as rolled, 99.9%; Molybdenum, foil, not light tested, 100x100mm, thickness 0.0125mm, 99.9%; Molybdenum, foil, not light tested, 100x100mm, thickness 0.01mm, annealed, 99.9%; Molybdenum, foil, not light tested, 150x150mm, thickness 0.0125mm, 99.9%; Molybdenum, foil, not light tested, 150x150mm, thickness 0.05mm, annealed, 99.9%; Molybdenum, foil, not light tested, 250x300mm, thickness 0.01mm, annealed, 99.9%; Molybdenum, foil, not light tested, 25x25mm, thickness 0.01mm, annealed, 99.9%; Molybdenum, foil, not light tested, 300x300mm, thickness 0.05mm, annealed, 99.9%; Molybdenum, foil, not light tested, 50x50mm, thickness 0.01mm, annealed, 99.9%; Molybdenum, foil, thickness 0.0125 mm, size 267 x 300 mm, purity 99.9%; Molybdenum, nanopowder, <100 nm particle size (TEM), 99.8% trace metals basis; Molybdenum, plasma standard solution, Specpure?, Mo 10,000?g/ml, (NH4)2MoO4 in 1% NH4OH; Molybdenum, plasma standard solution, Specpure?, Mo 10,000?g/ml, Mo in 5% HNO3/tr. HF; Molybdenum, plasma standard solution, Specpure?, Mo 1000?g/ml, (NH4)2MoO4 in 1% NH4OH; Molybdenum, plasma standard solution, Specpure?, Mo 1000?g/ml, Mo in 5% HNO3/tr. HF; Molybdenum, powder, 350 max. part. size (micron), weight 1000 g, purity 99.9+%; Molybdenum, powder, 350 max. part. size (micron), weight 200 g, purity 99.9+%; Molybdenum, powder, 350 max. part. size (micron), weight 50 g, purity 99.9+%; Molybdenum, powder, 350 max. part. size (micron), weight 500 g, purity 99.9+%; Molybdenum, powder, max. particle size 350 micron, weight 100 g, purity 99.9+%; Molybdenum, powder, mean particle size (fsss) <5 micron, weight 100 g, purity 99.9+%; Molybdenum, powder, mean particle size (fsss) <5 micron, weight 1000 g, purity 99.9+%; Molybdenum, powder, mean particle size (fsss) <5 micron, weight 200 g, purity 99.9+%; Molybdenum, powder, mean particle size (fsss) <5 micron, weight 50 g, purity 99.9+%; Molybdenum, powder, mean particle size (fsss) <5 micron, weight 500 g, purity 99.9+%; Molybdenum, tube, outside diameter 2.0 mm, length 100 mm, wall thickness 0.4 mm; Molybdenum, tube, outside diameter 2.0 mm, length 347 mm, wall thickness 0.4 mm; Molybdenum, tube, outside diameter 5.0 mm, length 50 mm, wall thickness 0.5 mm; Molybdenum, Washer, size m3, length 10 pcs, outside diameter 6.64 - 7.00mm; Molybdenum, Washer, size m4, length 25 pcs, outside diameter 8.64 - 9.00mm; Molybdenum, washer, size m4, length 50 pcs, outside diameter 8.64 - 9.00mm; Molybdenum, washer, size m5, length 25 pcs, outside diameter 9.64 - 10.00mm; Molybdenum, washer, size m5, length 50 pcs, outside diameter 9.64 - 10.00mm; Molybdenum, washer, size m6, length 25 pcs, outside diameter 11.57 - 12.00mm; Molybdenum, Washer, size m6, length 50 pcs, outside diameter 11.57 - 12.00mm; MO5; Molybdenum atomic spectroscopy standard concentrate 1.00 g Mo, 1.00 g/L, for 1L standard solution, analytical standard; Molybdenum single crystal disc, 10mm (0.39in) dia, 1-3mm (0.04-0.1in) thick, (100) orientation; Molybdenum single crystal disc, 10mm (0.39in) dia, 1-3mm (0.04-0.1in) thick, (110) orientation; Molybdenum single crystal disc, 10mm (0.39in) dia, 1-3mm (0.04-0.1in) thick, (111) orientation; Molybdenum single crystal, 11-12mm (0.43-0.47in) dia, 100mm (3.9in) long, (100) orientation; Molybdenum single crystal, 11-12mm (0.43-0.47in) dia, 100mm (3.9in) long, (110) orientation, zone refined; Molybdenum single crystal, 11-12mm (0.43-0.47in) dia, 100mm (3.9in) long, (111) orientation, zone refined; Molybdenum single crystal, 11-12mm (0.43-0.47in) dia, 100mm (3.9in) long, random orientation, zone refined; Molybdenum slug, 3.175mm (0.125in) dia x 3.175mm (0.125in) length, 99.95% (metals basis); Molybdenum slug, 3.175mm (0.125in) dia x 6.35mm (0.25in) length, 99.95% (metals basis); Molybdenum sputtering target, 50.8mm (2.0in) dia x 3.18mm (0.125in) thick, 99.95% (metals basis); Molybdenum sputtering target, 50.8mm (2.0in) dia x 6.35mm (0.250in) thick, 99.95% (metals basis); Molybdenum sputtering target, 76.2mm (3.0in) dia x 3.18mm (0.125in) thick, 99.95% (metals basis); Molybdenum sputtering target, 76.2mm (3.0in) dia x 6.35mm (0.250in) thick, 99.95% (metals basis); Molybdenum, insulated wire, 10m, conductor diameter 0.125mm, insulation thickness 0.012mm, polyimide insulation, 99.95%; Molybdenum, insulated wire, 20m, conductor diameter 0.125mm, insulation thickness 0.012mm, polyimide insulation, 99.95%; Molybdenum, insulated wire, 50m, conductor diameter 0.125mm, insulation thickness 0.012mm, polyimide insulation, 99.95%; Molybdenum, insulated wire, 5m, conductor diameter 0.125mm, insulation thickness 0.012mm, polyimide insulation, 99.95%; Molybdenum, mesh, 100x100mm, nominal aperture 0.44mm, wire diameter 0.07mm, 50 wires/inch, open area 67%, plain weave mesh; Molybdenum, mesh, 100x100mm, nominal aperture 0.8mm, wire diameter 0.18mm, 26 wires/inch, open area 67%, plain weave mesh; Molybdenum, mesh, 150x150mm, nominal aperture 0.44mm, wire diameter 0.07mm, 50 wires/inch, open area 67%, plain weave mesh; Molybdenum, mesh, 150x150mm, nominal aperture 0.8mm, wire diameter 0.18mm, 26 wires/inch, open area 67%, plain weave mesh; Molybdenum, mesh, 50x50mm, nominal aperture 0.44mm, wire diameter 0.07mm, 50 wires/inch, open area 67%, plain weave mesh; Molybdenum, mesh, 50x50mm, nominal aperture 0.8mm, wire diameter 0.18mm, 26 wires/inch, open area 67%, plain weave mesh; Molybdenum, microfoil, disks, 10mm, thinness 0.1mum, specific density 92.4mug/cm2, permanent mylar 3.5mum support, 99.9%; Molybdenum, microfoil, disks, 10mm, thinness 1.0mum, specific density 1022mug/cm2, permanent mylar 3.5mum support, 99.9%; Molybdenum, microfoil, disks, 25mm, thinness 0.1mum, specific density 92.4mug/cm2, permanent mylar 3.5mum support, 99.9%; Molybdenum, microfoil, disks, 25mm, thinness 1.0mum, specific density 1022mug/cm2, permanent mylar 3.5mum support, 99.9%; Molybdenum, microfoil, disks, 50mm, thinness 1.0mum, specific density 1022mug/cm2, permanent mylar 3.5mum support, 99.9%; Molybdenum, tube, 1000mm, outside diameter 1.0mm, inside diameter 0.7mm, wall thickness 0.15mm, 99.9%; Molybdenum, tube, 1000mm, outside diameter 1.5mm, inside diameter 0.95mm, wall thickness 0.275mm, 99.9%; Molybdenum, tube, 1000mm, outside diameter 2.0mm, inside diameter 1.3mm, wall thickness 0.35mm, 99.9%; Molybdenum, tube, 1000mm, outside diameter 2.0mm, inside diameter 1.4mm, wall thickness 0.3mm, 99.9%; Molybdenum, tube, 1000mm, outside diameter 3.15mm, inside diameter 2.39mm, wall thickness 0.38mm, 99.9%; Molybdenum, tube, 1000mm, outside diameter 6.0mm, inside diameter 5.6mm, wall thickness 0.20mm, 99.9%; Molybdenum, tube, 100mm, outside diameter 0.51mm, inside diameter 0.37mm, wall thickness 0.07mm, 99.9%; Molybdenum, tube, 100mm, outside diameter 0.5mm, inside diameter 0.38mm, wall thickness 0.06mm, 99.9%; Molybdenum, tube, 100mm, outside diameter 1.0mm, inside diameter 0.7mm, wall thickness 0.15mm, 99.9%; Molybdenum, tube, 100mm, outside diameter 1.5mm, inside diameter 0.95mm, wall thickness 0.275mm, 99.9%; Molybdenum, tube, 100mm, outside diameter 2.0mm, inside diameter 1.3mm, wall thickness 0.35mm, 99.9%; Molybdenum, tube, 100mm, outside diameter 2.0mm, inside diameter 1.4mm, wall thickness 0.3mm, 99.9%; Molybdenum, tube, 100mm, outside diameter 3.15mm, inside diameter 2.39mm, wall thickness 0.38mm, 99.9%; Molybdenum, tube, 100mm, outside diameter 5.0mm, inside diameter 4mm, wall thickness 0.5mm, 99.9%; Molybdenum, tube, 100mm, outside diameter 6.0mm, inside diameter 4.4mm, wall thickness 0.8mm, 99.9%; Molybdenum, tube, 100mm, outside diameter 6.0mm, inside diameter 5.6mm, wall thickness 0.20mm, 99.9%; Molybdenum, tube, 100mm, outside diameter 6.4mm, inside diameter 4.6mm, wall thickness 0.9mm, 99.9%; Molybdenum, tube, 200mm, outside diameter 0.51mm, inside diameter 0.37mm, wall thickness 0.07mm, 99.9%; Molybdenum, tube, 200mm, outside diameter 0.5mm, inside diameter 0.38mm, wall thickness 0.06mm, 99.9%; Molybdenum, tube, 200mm, outside diameter 1.0mm, inside diameter 0.7mm, wall thickness 0.15mm, 99.9%; Molybdenum, tube, 200mm, outside diameter 1.5mm, inside diameter 0.95mm, wall thickness 0.275mm, 99.9%; Molybdenum, tube, 200mm, outside diameter 2.0mm, inside diameter 1.3mm, wall thickness 0.35mm, 99.9%; Molybdenum, tube, 200mm, outside diameter 2.0mm, inside diameter 1.4mm, wall thickness 0.3mm, 99.9%; Molybdenum, tube, 200mm, outside diameter 3.15mm, inside diameter 2.39mm, wall thickness 0.38mm, 99.9%; Molybdenum, tube, 200mm, outside diameter 5.0mm, inside diameter 4mm, wall thickness 0.5mm, 99.9%; Molybdenum, tube, 200mm, outside diameter 6.0mm, inside diameter 4.4mm, wall thickness 0.8mm, 99.9%; Molybdenum, tube, 200mm, outside diameter 6.0mm, inside diameter 5.6mm, wall thickness 0.20mm, 99.9%; Molybdenum, tube, 200mm, outside diameter 6.4mm, inside diameter 4.6mm, wall thickness 0.9mm, 99.9%; Molybdenum, tube, 300mm, outside diameter 0.5mm, inside diameter 0.38mm, wall thickness 0.06mm, 99.9%; Molybdenum, tube, 500mm, outside diameter 1.0mm, inside diameter 0.7mm, wall thickness 0.15mm, 99.9%; Molybdenum, tube, 500mm, outside diameter 1.5mm, inside diameter 0.95mm, wall thickness 0.275mm, 99.9%; Molybdenum, tube, 500mm, outside diameter 2.0mm, inside diameter 1.3mm, wall thickness 0.35mm, 99.9%; Molybdenum, tube, 500mm, outside diameter 2.0mm, inside diameter 1.4mm, wall thickness 0.3mm, 99.9%; Molybdenum, tube, 500mm, outside diameter 3.15mm, inside diameter 2.39mm, wall thickness 0.38mm, 99.9%; Molybdenum, tube, 500mm, outside diameter 5.0mm, inside diameter 4mm, wall thickness 0.5mm, 99.9%; Molybdenum, tube, 500mm, outside diameter 6.0mm, inside diameter 4.4mm, wall thickness 0.8mm, 99.9%; Molybdenum, tube, 500mm, outside diameter 6.0mm, inside diameter 5.6mm, wall thickness 0.20mm, 99.9%; Molybdenum, tube, 500mm, outside diameter 6.4mm, inside diameter 4.6mm, wall thickness 0.9mm, 99.9%; Molybdenum, tube, 50mm, outside diameter 3.15mm, inside diameter 2.39mm, wall thickness 0.38mm, 99.9%; Molybdenum, tube, 50mm, outside diameter 6.0mm, inside diameter 4.4mm, wall thickness 0.8mm, 99.9%; Molybdenum, tube, 50mm, outside diameter 6.4mm, inside diameter 4.6mm, wall thickness 0.9mm, 99.9%
Search Links to Other Online Resources (may not be available):
- Google Structure Search
- EPA CompTox Database
- Chemical Entities of Biological Interest (ChEBI)
- NIH ChemIDplus - A TOXNET DATABASE
- The Human Metabolome Database (HMDB)
- OECD eChemPortal
- Google Scholar
+==================================================+
|| Molecular Calculation ||
+==================================================+
Id = 76185
NWOutput = Link to NWChem Output (download)
Datafiles:
lumo-beta.cube-425271-2022-9-22-4:38:0 (download)
lumo-alpha.cube-425271-2022-9-22-4:38:0 (download)
density.cube-425271-2022-9-22-4:38:0 (download)
homo-alpha.cube-425271-2022-9-22-4:38:0 (download)
homo-beta.cube-425271-2022-9-22-4:38:0 (download)
image_resset: api/image_reset/76185
Calculation performed by Eric Bylaska - arrow3.emsl.pnl.gov
Numbers of cpus used for calculation = 32
Calculation walltime = 550.800000 seconds (0 days 0 hours 9 minutes 10 seconds)
+----------------+
| Energetic Data |
+----------------+
Id = 76185
iupac = molybdenum quqrtet radical cation
mformula = Mo1
inchi = InChI=1S/Mo
inchikey = ZOKXTWBITQBERF-UHFFFAOYSA-N
esmiles = [Mo] theory{pspw4} xc{pbe} basis{100.0 Ry} solvation_type{None} ^{1} mult{4}
calculation_type = ov
theory = pspw4
xc = pbe
basis = 100.0 Ry
charge,mult = 1 4
energy = -9.650735 Hartrees
enthalpy correct.= 0.002359 Hartrees
entropy = 39.637 cal/mol-K
solvation energy = 0.000 kcal/mol solvation_type = None
Sitkoff cavity dispersion = 0.000 kcal/mol
Honig cavity dispersion = 0.000 kcal/mol
ASA solvent accesible surface area = 0.000 Angstrom2
ASA solvent accesible volume = 0.000 Angstrom3
+-----------------+
| Structural Data |
+-----------------+
JSmol: an open-source HTML5 viewer for chemical structures in 3D
Number of Atoms = 1
Units are Angstrom for bonds and degrees for angles
Type I J K L M Value
----------- ----- ----- ----- ----- ----- ----------
+-----------------+
| Eigenvalue Data |
+-----------------+
Id = 76185
iupac = molybdenum quqrtet radical cation
mformula = Mo1
InChI = InChI=1S/Mo
smiles = [Mo]
esmiles = [Mo] theory{pspw4} xc{pbe} basis{100.0 Ry} solvation_type{None} ^{1} mult{4}
theory = pspw4
xc = pbe
basis = 100.0 Ry
charge = 1
mult = 4
solvation_type = None
twirl webpage = TwirlMol Link
image webpage = GIF Image Link
Unrestricted Eigevalue Spectra
alpha beta
---- ---- -2.19 eV
----------
---- ---- -4.90 eV
----------
----------
---- ----
---- ----
---- ----
----------LUMO= -8.81 eV
----------
HOMO= -10.37 eV++++++++++
----------LUMO= -10.65 eV
HOMO= -11.48 eV++++ ++++
-11.68 eV++++ ++++
spin eig occ ---------------------------- alpha -11.48 1.00 alpha -11.50 1.00 alpha -11.68 1.00 alpha -11.68 1.00 alpha -2.19 0.00 alpha -2.19 0.00 alpha -2.96 0.00 alpha -5.89 0.00 alpha -6.35 0.00 alpha -6.35 0.00 alpha -9.43 0.00 alpha -10.65 0.00 beta -10.37 1.00 beta -4.90 0.00 beta -4.93 0.00 beta -5.74 0.00 beta -8.37 0.00 beta -8.38 0.00 beta -8.66 0.00 beta -8.67 0.00 beta -8.81 0.00
+----------------------------------------+ | Vibrational Density of States Analysis | +----------------------------------------+ Total number of frequencies = 3 Total number of negative frequencies = 0 Number of lowest frequencies = 0 (frequency threshold = 500 ) Exact dos norm = -3.000 Generating vibrational DOS Generating model vibrational DOS to have a proper norm 10.00 0.00 0.00 0.00 50.00 0.00 0.00 0.00 100.00 0.00 0.00 0.00 Writing vibrational density of states (DOS) to vdos.dat Writing model vibrational density of states (DOS_FIXED) to vdos-model.dat Temperature= 298.15 zero-point correction to energy = 0.000 kcal/mol ( 0.000000) vibrational contribution to enthalpy correction = 0.000 kcal/mol ( 0.000000) vibrational contribution to Entropy = 0.000 cal/mol-k hindered rotor enthalpy correction = 0.000 kcal/mol ( 0.000000) hindered rotor entropy correction = 0.000 cal/mol-k
DOS sigma = 10.000000
- vibrational DOS enthalpy correction = 0.000000 kcal/mol ( 0.000 kcal/mol)
- model vibrational DOS enthalpy correction = 0.000000 kcal/mol ( 0.000 kcal/mol)
- vibrational DOS Entropy = 0.000000 ( 0.000 cal/mol-k)
- model vibrational DOS Entropy = 0.000000 ( 0.000 cal/mol-k)
- original gas Energy = -9.650735 (-6055.927 kcal/mol)
- original gas Enthalpy = -9.648376 (-6054.447 kcal/mol, delta= 0.000)
- unajusted DOS gas Enthalpy = -9.648376 (-6054.447 kcal/mol, delta= 0.000)
- model DOS gas Enthalpy = -9.648376 (-6054.447 kcal/mol, delta= 0.000)
- original gas Entropy = 0.000063 ( 39.637 cal/mol-k,delta= 0.000)
- unajusted DOS gas Entropy = 0.000063 ( 39.637 cal/mol-k,delta= 0.000)
- model DOS gas Entropy = 0.000063 ( 39.637 cal/mol-k,delta= 0.000)
- original gas Free Energy = -9.667209 (-6066.265 kcal/mol, delta= 0.000)
- unadjusted DOS gas Free Energy = -9.667209 (-6066.265 kcal/mol, delta= 0.000)
- model DOS gas Free Energy = -9.667209 (-6066.265 kcal/mol, delta= 0.000)
- original sol Free Energy = -9.667209 (-6066.265 kcal/mol)
- unadjusted DOS sol Free Energy = -9.667209 (-6066.265 kcal/mol)
- model DOS sol Free Energy = -9.667209 (-6066.265 kcal/mol)
DOS sigma = 50.000000
- vibrational DOS enthalpy correction = 0.000000 kcal/mol ( 0.000 kcal/mol)
- model vibrational DOS enthalpy correction = 0.000000 kcal/mol ( 0.000 kcal/mol)
- vibrational DOS Entropy = 0.000000 ( 0.000 cal/mol-k)
- model vibrational DOS Entropy = 0.000000 ( 0.000 cal/mol-k)
- original gas Energy = -9.650735 (-6055.927 kcal/mol)
- original gas Enthalpy = -9.648376 (-6054.447 kcal/mol, delta= 0.000)
- unajusted DOS gas Enthalpy = -9.648376 (-6054.447 kcal/mol, delta= 0.000)
- model DOS gas Enthalpy = -9.648376 (-6054.447 kcal/mol, delta= 0.000)
- original gas Entropy = 0.000063 ( 39.637 cal/mol-k,delta= 0.000)
- unajusted DOS gas Entropy = 0.000063 ( 39.637 cal/mol-k,delta= 0.000)
- model DOS gas Entropy = 0.000063 ( 39.637 cal/mol-k,delta= 0.000)
- original gas Free Energy = -9.667209 (-6066.265 kcal/mol, delta= 0.000)
- unadjusted DOS gas Free Energy = -9.667209 (-6066.265 kcal/mol, delta= 0.000)
- model DOS gas Free Energy = -9.667209 (-6066.265 kcal/mol, delta= 0.000)
- original sol Free Energy = -9.667209 (-6066.265 kcal/mol)
- unadjusted DOS sol Free Energy = -9.667209 (-6066.265 kcal/mol)
- model DOS sol Free Energy = -9.667209 (-6066.265 kcal/mol)
DOS sigma = 100.000000
- vibrational DOS enthalpy correction = 0.000000 kcal/mol ( 0.000 kcal/mol)
- model vibrational DOS enthalpy correction = 0.000000 kcal/mol ( 0.000 kcal/mol)
- vibrational DOS Entropy = 0.000000 ( 0.000 cal/mol-k)
- model vibrational DOS Entropy = 0.000000 ( 0.000 cal/mol-k)
- original gas Energy = -9.650735 (-6055.927 kcal/mol)
- original gas Enthalpy = -9.648376 (-6054.447 kcal/mol, delta= 0.000)
- unajusted DOS gas Enthalpy = -9.648376 (-6054.447 kcal/mol, delta= 0.000)
- model DOS gas Enthalpy = -9.648376 (-6054.447 kcal/mol, delta= 0.000)
- original gas Entropy = 0.000063 ( 39.637 cal/mol-k,delta= 0.000)
- unajusted DOS gas Entropy = 0.000063 ( 39.637 cal/mol-k,delta= 0.000)
- model DOS gas Entropy = 0.000063 ( 39.637 cal/mol-k,delta= 0.000)
- original gas Free Energy = -9.667209 (-6066.265 kcal/mol, delta= 0.000)
- unadjusted DOS gas Free Energy = -9.667209 (-6066.265 kcal/mol, delta= 0.000)
- model DOS gas Free Energy = -9.667209 (-6066.265 kcal/mol, delta= 0.000)
- original sol Free Energy = -9.667209 (-6066.265 kcal/mol)
- unadjusted DOS sol Free Energy = -9.667209 (-6066.265 kcal/mol)
- model DOS sol Free Energy = -9.667209 (-6066.265 kcal/mol)
Normal Mode Frequency (cm-1) IR Intensity (arbitrary)
----------- ---------------- ------------------------
1 0.000 0.000
2 0.000 0.000
3 0.000 0.000
No Hindered Rotor Data
+-------------------------------------+
| Reactions Contained in the Database |
+-------------------------------------+
Reactions Containing INCHIKEY = ZOKXTWBITQBERF-UHFFFAOYSA-N
Reactionid Erxn(gas) Hrxn(gas) Grxn(gas) delta_Solv Grxn(aq) ReactionType Reaction
All requests to Arrows were successful.
KEYWORDs -
reaction: :reaction
chinese_room: :chinese_room
molecule: :molecule
nmr: :nmr
predict: :predict
submitesmiles: :submitesmiles
nosubmitmissingesmiles
resubmitmissingesmiles
submitmachines: :submitmachines
useallentries
nomodelcorrect
eigenvalues: :eigenvalues
frequencies: :frequencies
nwoutput: :nwoutput
xyzfile: :xyzfile
alleigs: :alleigs
allfreqs: :allfreqs
reactionenumerate:
energytype:[erxn(gas) hrxn(gas) grxn(gas) delta_solvation grxn(aq)] :energytype
energytype:[kcal/mol kj/mol ev cm-1 ry hartree au] :energytype
tablereactions:
reaction: ... :reaction
reaction: ... :reaction
...
:tablereactions
tablemethods:
method: ... :method
method: ... :method
...
:tablemethods
:reactionenumerate
rotatebonds
xyzinput:
label: :label
xyzdata:
... xyz data ...
:xyzdata
:xyzinput
submitHf: :submitHf
nmrexp: :nmrexp
findreplace: old text | new text :findreplace
listnwjobs
fetchnwjob: :fetchnwjob
pushnwjob: :pushnwjob
printcsv: :printcsv
printeig: :printeig
printfreq: :printfreq
printxyz: :printxyz
printjobinfo: :printjobinfo
printnwout: :printnwout
badids: :badids
hup_string:
database:
table:
request_table:
listallesmiles
queuecheck
This software service and its documentation were developed at the Environmental Molecular Sciences Laboratory (EMSL) at Pacific Northwest National Laboratory, a multiprogram national laboratory, operated for the U.S. Department of Energy by Battelle under Contract Number DE-AC05-76RL01830. Support for this work was provided by the Department of Energy Office of Biological and Environmental Research, and Department of Defense environmental science and technology program (SERDP). THE SOFTWARE SERVICE IS PROVIDED "AS IS", WITHOUT WARRANTY OF ANY KIND, EXPRESS OR IMPLIED, INCLUDING BUT NOT LIMITED TO THE WARRANTIES OF MERCHANTABILITY, FITNESS FOR A PARTICULAR PURPOSE AND NONINFRINGEMENT. IN NO EVENT SHALL THE AUTHORS OR COPYRIGHT HOLDERS BE LIABLE FOR ANY CLAIM, DAMAGES OR OTHER LIABILITY, WHETHER IN AN ACTION OF CONTRACT, TORT OR OTHERWISE, ARISING FROM, OUT OF OR IN CONNECTION WITH THE SOFTWARE SERVICE OR THE USE OR OTHER DEALINGS IN THE SOFTWARE SERVICE.