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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/Ru_8/Eooh dispersion_Ru-8-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 | -2471.9277341; Eh | |||
 | 1-Jul-2019 | /dispersion/Ru_7/Eo4 dispersion_Ru-7-O4 | Craig, Michael | Gaussian; 09; EM64L-G09RevA.02 | Single point Structure | UTPSSh | LANL2DZ 6-31G(D) 6-31G(D,P) 6-31+G(D) GEN | -1784.4387394; Eh | |||
 | 1-Jul-2019 | /dispersion/Ru_7/Eoh dispersion_Ru-7-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 | -1785.0827482; Eh | |||
 | 1-Jul-2019 | /dispersion/Ru_7/Evac dispersion_Ru-7-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 | -1709.277419; Eh | |||
 | 1-Jul-2019 | /dispersion/Ru_6/Evac dispersion_Ru-6-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 | -1363.8635283; Eh | |||
 | 1-Jul-2019 | /dispersion/Ru_4/Eooh dispersion_Ru-4-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 | -1580.3866168; Eh | |||
 | 1-Jul-2019 | /dispersion/Ru_9/Evac dispersion_Ru-9-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 | -1908.3794839; Eh | |||
 | 1-Jul-2019 | /dispersion/Ru_5/Eooh dispersion_Ru-5-OOH-freq-disp | Craig, Michael | Gaussian; 09; EM64L-G09RevA.02 | Single point Structure | UTPSSh | LANL2DZ 6-31G(D) 6-31G(D,P) 6-31+G(D) GEN | -1693.7813455; Eh | |||
 | 1-Jul-2019 | /dispersion/Ru_5/Eo dispersion_Ru-5-O-disp | Craig, Michael | Gaussian; 09; EM64L-G09RevA.02 | Single point Structure | UTPSSh | LANL2DZ 6-31G(D) 6-31G(D,P) 6-31+G(D) GEN | -1617.9918496; Eh | |||
 | 1-Jul-2019 | /dispersion/Ru_5/Eoh dispersion_Ru-5-OH-freq-disp | Craig, Michael | Gaussian; 09; EM64L-G09RevA.02 | Single point Structure | UTPSSh | LANL2DZ 6-31G(D) 6-31G(D,P) 6-31+G(D) GEN | -1618.6377027; Eh |
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