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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/Ni_17/Eoh dispersion_Ni-17-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 | -2381.2899926; Eh | |||
 | 1-Jul-2019 | /dispersion/Cu_15/Eooh dispersion_Cu-15-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 | -1504.5492823; Eh | |||
 | 1-Jul-2019 | /dispersion/Cu_15/Eo dispersion_Cu-15-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 | -1428.7151615; 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/Cu_15/Evac dispersion_Cu-15-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 | -1353.6093323; 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/Evac dispersion_Co-16-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 | -1689.4253085; 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/Fe_13/Eooh dispersion_Fe-13-OOH | Craig, Michael | Gaussian; 09; EM64L-G09RevA.02 | Single point Structure | UTPSSh | LANL2DZ 6-31G(D) 6-31G(D,P) 6-31+G(D) GEN | -2571.0446319; Eh | |||
 | 1-Jul-2019 | /dispersion/Fe_13/Eo dispersion_Fe-13-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 | -2495.2513901; Eh |
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