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
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The id(s) for emsiles = C1=CC=C2C=CC=CC2=C1 ^{0} are: 6754
Use id=% instead of esmiles to print other entries.
mformula = C10H8
iupac = naphthalene
PubChem = 931
PubChem LCSS = 931
cas = 91-20-3
kegg = C00829
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 = 6754
NWOutput = Link to NWChem Output (download)
Datafiles:
dft-b3lyp-C10H8-57671.out-2016-7-31-22:54:34 (download)
lumo-restricted.cube-2016-7-31-22:54:34 (download)
homo-restricted.cube-2016-7-31-22:54:34 (download)
mo_orbital_nwchemarrows.out-273002-2017-12-5-10:37:4 (download)
image_resset: api/image_reset/6754
+----------------+
| Energetic Data |
+----------------+
Id = 6754
iupac = naphthalene
mformula = C10H8
inchi = InChI=1S/C10H8/c1-2-6-10-8-4-3-7-9(10)5-1/h1-8H
inchikey = UFWIBTONFRDIAS-UHFFFAOYSA-N
esmiles = C1=CC=C2C=CC=CC2=C1 ^{0}
calculation_type = ovc
theory = dft
xc = b3lyp
basis = 6-311++G(2d,2p)
charge,mult = 0 1
energy = -386.009677 Hartrees
enthalpy correct.= 0.155166 Hartrees
entropy = 81.828 cal/mol-K
solvation energy = -2.301 kcal/mol solvation_type = COSMO
Sitkoff cavity dispersion = 2.409 kcal/mol
Honig cavity dispersion = 7.743 kcal/mol
ASA solvent accesible surface area = 309.717 Angstrom2
ASA solvent accesible volume = 287.890 Angstrom3
+-----------------+
| Structural Data |
+-----------------+
JSmol: an open-source HTML5 viewer for chemical structures in 3D
Number of Atoms = 18
Units are Angstrom for bonds and degrees for angles
Type I J K L M Value
----------- ----- ----- ----- ----- ----- ----------
1 Stretch C1 C2 1.37116
2 Stretch C1 C10 1.41255
3 Stretch C1 H11 1.08149
4 Stretch C2 C3 1.41697
5 Stretch C2 H12 1.08237
6 Stretch C3 C4 1.41698
7 Stretch C3 C8 1.42850
8 Stretch C4 C5 1.37120
9 Stretch C4 H13 1.08238
10 Stretch C5 C6 1.41261
11 Stretch C5 H14 1.08153
12 Stretch C6 C7 1.37125
13 Stretch C6 H15 1.08154
14 Stretch C7 C8 1.41704
15 Stretch C7 H16 1.08244
16 Stretch C8 C9 1.41703
17 Stretch C9 C10 1.37121
18 Stretch C9 H17 1.08243
19 Stretch C10 H18 1.08150
20 Bend C2 C1 C10 120.28827
21 Bend C2 C1 H11 120.08932
22 Bend C10 C1 H11 119.62241
23 Bend C1 C2 C3 120.87123
24 Bend C1 C2 H12 120.33823
25 Bend C3 C2 H12 118.79054
26 Bend C2 C3 C4 122.31343
27 Bend C2 C3 C8 118.84278
28 Bend C4 C3 C8 118.84379
29 Bend C3 C4 C5 120.87146
30 Bend C3 C4 H13 118.79130
31 Bend C5 C4 H13 120.33725
32 Bend C4 C5 C6 120.28714
33 Bend C4 C5 H14 120.09038
34 Bend C6 C5 H14 119.62249
35 Bend C5 C6 C7 120.28562
36 Bend C5 C6 H15 119.62438
37 Bend C7 C6 H15 120.09000
38 Bend C6 C7 C8 120.86890
39 Bend C6 C7 H16 120.33865
40 Bend C8 C7 H16 118.79245
41 Bend C3 C8 C7 118.84309
42 Bend C3 C8 C9 118.84238
43 Bend C7 C8 C9 122.31453
44 Bend C8 C9 C10 120.86863
45 Bend C8 C9 H17 118.79201
46 Bend C10 C9 H17 120.33936
47 Bend C1 C10 C9 120.28672
48 Bend C1 C10 H18 119.62423
49 Bend C9 C10 H18 120.08905
50 Dihedral C1 C2 C3 C4 179.99841
51 Dihedral C1 C2 C3 C8 -0.00086
52 Dihedral C1 C10 C9 C8 -0.00049
53 Dihedral C1 C10 C9 H17 -179.99953
54 Dihedral C2 C1 C10 C9 0.00086
55 Dihedral C2 C1 C10 H18 -179.99818
56 Dihedral C2 C3 C4 C5 179.99775
57 Dihedral C2 C3 C4 H13 -0.00358
58 Dihedral C2 C3 C8 C7 -179.99873
59 Dihedral C2 C3 C8 C9 0.00121
60 Dihedral C3 C2 C1 C10 -0.00017
61 Dihedral C3 C2 C1 H11 179.99968
62 Dihedral C3 C4 C5 C6 0.00209
63 Dihedral C3 C4 C5 H14 -179.99843
64 Dihedral C3 C8 C7 C6 -0.00013
65 Dihedral C3 C8 C7 H16 -179.99835
66 Dihedral C3 C8 C9 C10 -0.00055
67 Dihedral C3 C8 C9 H17 179.99850
68 Dihedral C4 C3 C2 H12 -0.00229
69 Dihedral C4 C3 C8 C7 0.00197
70 Dihedral C4 C3 C8 C9 -179.99809
71 Dihedral C4 C5 C6 C7 -0.00018
72 Dihedral C4 C5 C6 H15 179.99910
73 Dihedral C5 C4 C3 C8 -0.00297
74 Dihedral C5 C6 C7 C8 -0.00079
75 Dihedral C5 C6 C7 H16 179.99739
76 Dihedral C6 C5 C4 H13 -179.99656
77 Dihedral C6 C7 C8 C9 179.99993
78 Dihedral C7 C6 C5 H14 -179.99966
79 Dihedral C7 C8 C9 C10 179.99939
80 Dihedral C7 C8 C9 H17 -0.00156
81 Dihedral C8 C3 C2 H12 179.99843
82 Dihedral C8 C3 C4 H13 179.99570
83 Dihedral C8 C7 C6 H15 179.99994
84 Dihedral C8 C9 C10 H18 179.99855
85 Dihedral C9 C8 C7 H16 0.00172
86 Dihedral C9 C10 C1 H11 -179.99899
87 Dihedral C10 C1 C2 H12 -179.99946
88 Dihedral H11 C1 C2 H12 0.00040
89 Dihedral H11 C1 C10 H18 0.00197
90 Dihedral H13 C4 C5 H14 0.00292
91 Dihedral H14 C5 C6 H15 -0.00039
92 Dihedral H15 C6 C7 H16 -0.00188
93 Dihedral H17 C9 C10 H18 -0.00049
+-----------------+
| Eigenvalue Data |
+-----------------+
Id = 6754
iupac = naphthalene
mformula = C10H8
InChI = InChI=1S/C10H8/c1-2-6-10-8-4-3-7-9(10)5-1/h1-8H
smiles = c1cc2ccccc2cc1
esmiles = C1=CC=C2C=CC=CC2=C1 ^{0}
theory = dft
xc = b3lyp
basis = 6-311++G(2d,2p)
charge = 0
mult = 1
solvation_type = COSMO
twirl webpage = TwirlMol Link
image webpage = GIF Image Link
Eigevalue Spectra
---------- 13.65 eV
-- -- -- -
-- -- -- -
---- ----
-- -- -- -
---- ----
-- -- -- -
--- -- ---
-- -- -- -
- - - - --
-- -- -- -
6 - - - -
6 - - - -
6 - - - -
- - - - --
-- -- -- -
--- -- ---
--- -- ---
----------
---------- LUMO= -1.59 eV
HOMO= -6.38 eV ++++++++++
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++++ ++++
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-24.19 eV ++++++++++
spin eig occ ---------------------------- restricted -24.19 2.00 restricted -22.73 2.00 restricted -21.39 2.00 restricted -20.51 2.00 restricted -19.91 2.00 restricted -17.33 2.00 restricted -16.96 2.00 restricted -16.50 2.00 restricted -14.30 2.00 restricted -14.13 2.00 restricted -13.75 2.00 restricted -12.38 2.00 restricted -12.33 2.00 restricted -11.69 2.00 restricted -11.61 2.00 restricted -11.15 2.00 restricted -11.13 2.00 restricted -10.30 2.00 restricted -9.53 2.00 restricted -9.41 2.00 restricted -9.26 2.00 restricted -8.25 2.00 restricted -7.14 2.00 restricted -6.38 2.00 restricted -1.59 0.00 restricted -0.86 0.00 restricted -0.19 0.00 restricted -0.04 0.00 restricted 0.12 0.00 restricted 0.22 0.00 restricted 0.71 0.00 restricted 0.72 0.00 restricted 1.14 0.00 restricted 1.31 0.00 restricted 1.35 0.00 restricted 1.43 0.00 restricted 1.78 0.00 restricted 1.92 0.00 restricted 1.95 0.00 restricted 2.24 0.00 restricted 2.33 0.00 restricted 2.79 0.00 restricted 3.04 0.00 restricted 3.08 0.00 restricted 3.09 0.00 restricted 3.12 0.00 restricted 3.18 0.00 restricted 3.24 0.00 restricted 3.46 0.00 restricted 3.50 0.00 restricted 3.55 0.00 restricted 3.75 0.00 restricted 3.76 0.00 restricted 4.05 0.00 restricted 4.24 0.00 restricted 4.32 0.00 restricted 4.35 0.00 restricted 4.57 0.00 restricted 4.58 0.00 restricted 5.24 0.00 restricted 5.46 0.00 restricted 5.50 0.00 restricted 5.51 0.00 restricted 5.66 0.00 restricted 5.67 0.00 restricted 5.91 0.00 restricted 6.29 0.00 restricted 6.31 0.00 restricted 6.49 0.00 restricted 6.62 0.00 restricted 6.70 0.00 restricted 7.04 0.00 restricted 7.29 0.00 restricted 7.64 0.00 restricted 7.66 0.00 restricted 7.94 0.00 restricted 8.09 0.00 restricted 8.49 0.00 restricted 8.62 0.00 restricted 8.70 0.00 restricted 9.32 0.00 restricted 9.41 0.00 restricted 9.46 0.00 restricted 9.69 0.00 restricted 10.05 0.00 restricted 11.01 0.00 restricted 11.44 0.00 restricted 11.85 0.00 restricted 11.99 0.00 restricted 12.01 0.00 restricted 12.11 0.00 restricted 12.50 0.00 restricted 12.92 0.00 restricted 13.08 0.00 restricted 13.20 0.00 restricted 13.65 0.00
+----------------------------------------+ | Vibrational Density of States Analysis | +----------------------------------------+ Total number of frequencies = 54 Total number of negative frequencies = 0 Number of lowest frequencies = 6 (frequency threshold = 500 ) Exact dos norm = 48.000 Generating vibrational DOS Generating model vibrational DOS to have a proper norm 10.00 48.01 6.00 48.00 50.00 48.00 6.00 48.00 100.00 47.93 5.93 48.00 Generating IR Spectra Writing vibrational density of states (DOS) to vdos.dat Writing model vibrational density of states (DOS_FIXED) to vdos-model.dat Writing IR spectra to irdos.dat Temperature= 298.15 zero-point correction to energy = 92.526 kcal/mol ( 0.147449) vibrational contribution to enthalpy correction = 94.999 kcal/mol ( 0.151391) vibrational contribution to Entropy = 12.481 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 = 0.151393 kcal/mol ( 95.000 kcal/mol)
- model vibrational DOS enthalpy correction = 0.151379 kcal/mol ( 94.992 kcal/mol)
- vibrational DOS Entropy = 0.000020 ( 12.493 cal/mol-k)
- model vibrational DOS Entropy = 0.000020 ( 12.477 cal/mol-k)
- original gas Energy = -386.009677 (-242224.727 kcal/mol)
- original gas Enthalpy = -385.854511 (-242127.359 kcal/mol, delta= 0.000)
- unajusted DOS gas Enthalpy = -385.854509 (-242127.358 kcal/mol, delta= 0.001)
- model DOS gas Enthalpy = -385.854523 (-242127.367 kcal/mol, delta= -0.008)
- original gas Entropy = 0.000130 ( 81.828 cal/mol-k,delta= 0.000)
- unajusted DOS gas Entropy = 0.000130 ( 81.840 cal/mol-k,delta= 0.012)
- model DOS gas Entropy = 0.000130 ( 81.824 cal/mol-k,delta= -0.004)
- original gas Free Energy = -385.893390 (-242151.756 kcal/mol, delta= 0.000)
- unadjusted DOS gas Free Energy = -385.893394 (-242151.759 kcal/mol, delta= -0.003)
- model DOS gas Free Energy = -385.893400 (-242151.763 kcal/mol, delta= -0.007)
- original sol Free Energy = -385.897058 (-242154.058 kcal/mol)
- unadjusted DOS sol Free Energy = -385.897062 (-242154.060 kcal/mol)
- model DOS sol Free Energy = -385.897068 (-242154.064 kcal/mol)
DOS sigma = 50.000000
- vibrational DOS enthalpy correction = 0.151436 kcal/mol ( 95.028 kcal/mol)
- model vibrational DOS enthalpy correction = 0.151436 kcal/mol ( 95.028 kcal/mol)
- vibrational DOS Entropy = 0.000020 ( 12.813 cal/mol-k)
- model vibrational DOS Entropy = 0.000020 ( 12.814 cal/mol-k)
- original gas Energy = -386.009677 (-242224.727 kcal/mol)
- original gas Enthalpy = -385.854511 (-242127.359 kcal/mol, delta= 0.000)
- unajusted DOS gas Enthalpy = -385.854466 (-242127.331 kcal/mol, delta= 0.028)
- model DOS gas Enthalpy = -385.854465 (-242127.331 kcal/mol, delta= 0.029)
- original gas Entropy = 0.000130 ( 81.828 cal/mol-k,delta= 0.000)
- unajusted DOS gas Entropy = 0.000131 ( 82.160 cal/mol-k,delta= 0.332)
- model DOS gas Entropy = 0.000131 ( 82.161 cal/mol-k,delta= 0.333)
- original gas Free Energy = -385.893390 (-242151.756 kcal/mol, delta= 0.000)
- unadjusted DOS gas Free Energy = -385.893503 (-242151.827 kcal/mol, delta= -0.071)
- model DOS gas Free Energy = -385.893503 (-242151.827 kcal/mol, delta= -0.071)
- original sol Free Energy = -385.897058 (-242154.058 kcal/mol)
- unadjusted DOS sol Free Energy = -385.897170 (-242154.128 kcal/mol)
- model DOS sol Free Energy = -385.897170 (-242154.128 kcal/mol)
DOS sigma = 100.000000
- vibrational DOS enthalpy correction = 0.151514 kcal/mol ( 95.076 kcal/mol)
- model vibrational DOS enthalpy correction = 0.151597 kcal/mol ( 95.128 kcal/mol)
- vibrational DOS Entropy = 0.000022 ( 13.643 cal/mol-k)
- model vibrational DOS Entropy = 0.000022 ( 13.746 cal/mol-k)
- original gas Energy = -386.009677 (-242224.727 kcal/mol)
- original gas Enthalpy = -385.854511 (-242127.359 kcal/mol, delta= 0.000)
- unajusted DOS gas Enthalpy = -385.854388 (-242127.282 kcal/mol, delta= 0.077)
- model DOS gas Enthalpy = -385.854305 (-242127.230 kcal/mol, delta= 0.129)
- original gas Entropy = 0.000130 ( 81.828 cal/mol-k,delta= 0.000)
- unajusted DOS gas Entropy = 0.000132 ( 82.990 cal/mol-k,delta= 1.162)
- model DOS gas Entropy = 0.000132 ( 83.093 cal/mol-k,delta= 1.265)
- original gas Free Energy = -385.893390 (-242151.756 kcal/mol, delta= 0.000)
- unadjusted DOS gas Free Energy = -385.893819 (-242152.025 kcal/mol, delta= -0.269)
- model DOS gas Free Energy = -385.893785 (-242152.004 kcal/mol, delta= -0.248)
- original sol Free Energy = -385.897058 (-242154.058 kcal/mol)
- unadjusted DOS sol Free Energy = -385.897487 (-242154.327 kcal/mol)
- model DOS sol Free Energy = -385.897453 (-242154.306 kcal/mol)
Normal Mode Frequency (cm-1) IR Intensity (arbitrary)
----------- ---------------- ------------------------
1 -0.000 0.002
2 -0.000 0.006
3 -0.000 0.014
4 0.000 0.584
5 0.000 1.226
6 0.000 3.844
7 175.910 5.465
8 188.640 0.047
9 369.180 9.002
10 398.020 0.004
11 481.500 0.002
12 488.480 36.212
13 522.040 0.001
14 528.610 0.029
15 633.930 0.021
16 644.750 18.224
17 730.410 0.000
18 782.590 0.001
19 791.040 0.139
20 800.050 169.055
21 821.910 18.527
22 849.980 0.003
23 895.840 0.000
24 959.770 0.001
25 963.380 0.000
26 981.740 4.275
27 992.700 0.008
28 997.190 0.000
29 1055.440 0.001
30 1061.370 10.987
31 1164.420 0.110
32 1171.430 0.199
33 1177.640 0.000
34 1188.410 0.002
35 1234.880 5.067
36 1275.460 0.002
37 1298.880 30.478
38 1390.540 0.154
39 1401.710 10.104
40 1424.500 33.897
41 1502.450 0.014
42 1504.390 0.009
43 1556.590 70.126
44 1608.640 0.000
45 1643.430 56.890
46 1666.160 0.001
47 3154.840 1.777
48 3158.830 14.352
49 3163.250 38.035
50 3169.160 0.649
51 3176.970 0.064
52 3192.500 0.002
53 3203.560 0.083
54 3210.530 0.307
No Hindered Rotor Data
+-------------------------------------+
| Reactions Contained in the Database |
+-------------------------------------+
Reactions Containing INCHIKEY = UFWIBTONFRDIAS-UHFFFAOYSA-N
Reactionid Erxn(gas) Hrxn(gas) Grxn(gas) delta_Solv Grxn(aq) ReactionType Reaction
16785 17.069 11.012 12.646 0.000 12.646 AB + CD --> AD + BC "c2ccc1ccccc1c2 theory{pspw4} + Cl theory{pspw4} --> Clc1cccc2ccccc12 theory{pspw4} + [H][H] theory{pspw4}"
16675 8.675 11.934 22.623 0.000 22.623 AB + CD --> CABD "c2ccc1ccccc1c2 theory{pspw4} + Cl theory{pspw4} --> ClC2C=Cc1ccccc1C2 theory{pspw4}"
16674 8.675 11.934 22.623 0.000 22.623 AB + CD --> CABD "c2ccc1ccccc1c2 theory{pspw4} + Cl theory{pspw4} --> ClC2C=Cc1ccccc1C2 theory{pspw4}"
16664 16.889 10.719 12.309 0.000 12.309 AB + CD --> AD + BC "c2ccc1ccccc1c2 theory{pspw4} + Cl theory{pspw4} --> Clc2ccc1ccccc1c2 theory{pspw4} + [H][H] theory{pspw4}"
8003 -63.333 -63.672 -63.055 -4.098 -67.153 AB + CD --> AD + BC "naphthalene + hydrogen peroxide --> 1-naphthol + water"
2656 207.665 195.459 186.793 0.000 186.793 AB + CD --> AD + BC "c2ccc1ccccc1c2 theory{pspw4} --> C1=CC2=C[C]3[C]1C=CC2=C3 theory{pspw4} + [H][H] theory{pspw4}"
2281 17.068 10.993 12.627 0.000 12.627 AB + CD --> AD + BC "c2ccc1ccccc1c2 theory{pspw4} + Cl theory{pspw4} --> Clc1cccc2ccccc12 theory{pspw4} + [H][H] theory{pspw4}"
2202 16.889 10.700 12.290 0.000 12.290 AB + CD --> AD + BC "c2ccc1ccccc1c2 theory{pspw4} + Cl theory{pspw4} --> Clc2ccc1ccccc1c2 theory{pspw4} + [H][H] theory{pspw4}"
1765 8.675 11.915 22.603 0.000 22.603 AB + CD --> CABD "c2ccc1ccccc1c2 theory{pspw4} + Cl theory{pspw4} --> ClC2C=Cc1ccccc1C2 theory{pspw4}"
1764 8.675 11.915 22.603 0.000 22.603 AB + CD --> CABD "c2ccc1ccccc1c2 theory{pspw4} + Cl theory{pspw4} --> ClC2C=Cc1ccccc1C2 theory{pspw4}"
1224 -64.422 -64.076 -63.732 -4.258 -67.990 AB + CD --> AD + BC "naphthalene + hydrogen peroxide --> 1-naphthol + water"
1150 207.665 195.459 186.793 0.000 186.793 AB + CD --> AD + BC "c2ccc1ccccc1c2 theory{pspw4} --> C1=CC2=C[C]3[C]1C=CC2=C3 theory{pspw4} + [H][H] theory{pspw4}"
1148 16.889 10.700 12.290 0.000 12.290 AB + CD --> AD + BC "c2ccc1ccccc1c2 theory{pspw4} + Cl theory{pspw4} --> Clc2ccc1ccccc1c2 theory{pspw4} + [H][H] theory{pspw4}"
1141 17.068 10.993 12.627 0.000 12.627 AB + CD --> AD + BC "c2ccc1ccccc1c2 theory{pspw4} + Cl theory{pspw4} --> Clc1cccc2ccccc12 theory{pspw4} + [H][H] theory{pspw4}"
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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.