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| Preview | Issue Date | Title | Author(s) | Program | Calculation type | Method(s) | Basis Set | Energy | Solv. | Vibr. | Orb. |
|---|---|---|---|---|---|---|---|---|---|---|---|
 | 1-Jul-2019 | /dispersion/Mn_11/Eoh dispersion_Mn-11-OH-freq | Craig, Michael | Gaussian; 09; EM64L-G09RevA.02 | Single point Structure | UTPSSh | LANL2DZ 6-31G(D) 6-31G(D,P) 6-31+G(D) GEN | -1302.9062713; Eh | |||
 | 1-Jul-2019 | /dispersion/Mn_10/Eooh dispersion_Mn-10-OOH-freq | Craig, Michael | Gaussian; 09; EM64L-G09RevA.02 | Single point Structure | UTPSSh | LANL2DZ 6-31G(D) 6-31G(D,P) 6-31+G(D) GEN | -1417.7673464; Eh | |||
 | 1-Jul-2019 | /dispersion/Cu_15/Eoh dispersion_Cu-15-OH-freq | Craig, Michael | Gaussian; 09; EM64L-G09RevA.02 | Single point Structure | UTPSSh | LANL2DZ 6-31G(D) 6-31G(D,P) 6-31+G(D) GEN | -1429.3983425; Eh | |||
 | 1-Jul-2019 | /dispersion/Ni_17/Eo dispersion_Ni-17-O | Craig, Michael | Gaussian; 09; EM64L-G09RevA.02 | Single point Structure | UTPSSh | LANL2DZ 6-31G(D) 6-31G(D,P) 6-31+G(D) GEN | -2380.6143515; Eh | |||
 | 1-Jul-2019 | /dispersion/Co_16/Eooh dispersion_Co-16-OOH-freq | Craig, Michael | Gaussian; 09; EM64L-G09RevA.02 | Single point Structure | UTPSSh | LANL2DZ 6-31G(D) 6-31G(D,P) 6-31+G(D) GEN | -1840.3922582; Eh | |||
 | 1-Jul-2019 | /dispersion/Fe_14/Evac dispersion_Fe-14-VAC-freq | Craig, Michael | Gaussian; 09; EM64L-G09RevA.02 | Single point Structure | UTPSSh | LANL2DZ 6-31G(D) 6-31G(D,P) 6-31+G(D) GEN | -1041.7721768; Eh | |||
 | 1-Jul-2019 | /dispersion/Mn_11/Evac dispersion_Mn-11-VAC-freq | Craig, Michael | Gaussian; 09; EM64L-G09RevA.02 | Single point Structure | UTPSSh | LANL2DZ 6-31G(D) 6-31G(D,P) 6-31+G(D) GEN | -1227.0814108; Eh | |||
 | 1-Jul-2019 | /dispersion/Ru_8/Eoh dispersion_Ru-8-OH-freq | Craig, Michael | Gaussian; 09; EM64L-G09RevA.02 | Single point Structure | UTPSSh | LANL2DZ 6-31G(D) 6-31G(D,P) 6-31+G(D) GEN | -2396.7805033; Eh | |||
 | 1-Jul-2019 | /dispersion/Ru_6/Eo dispersion_Ru-6-O4d-dispb | Craig, Michael | Gaussian; 09; EM64L-G09RevA.02 | Single point Structure | UTPSSh | LANL2DZ 6-31G(D) 6-31G(D,P) 6-31+G(D) GEN | -1439.0528065; Eh | |||
 | 1-Jul-2019 | /dispersion/Ru_4/Eo/dispersion_newrun Ru-4-O | Craig, Michael | Gaussian; 09; EM64L-G09RevA.02 | Single point Structure | UTPSSh | LANL2DZ 6-31G(D) 6-31G(D,P) 6-31+G(D) GEN | -1504.606245; Eh |
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