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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_1/oh dispersion_Ru-1-OH-freq-dispb-dispersion | Craig, Michael | Gaussian; 09; EM64L-G09RevA.02 | Single point Structure | UTPSSh | LANL2DZ 6-31G(D) 6-31G(D,P) 6-31+G(D) GEN | -1845.2850064; Eh | |||
 | 1-Jul-2019 | /dispersion/Ru_3/Eo5 dispersion_Ru-3-O5-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 | -1615.7455382; Eh | |||
 | 1-Jul-2019 | /dispersion/Ru_3/Eo4 dispersion_Ru-3-O4-dispf-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 | -1615.9618439; Eh | |||
 | 1-Jul-2019 | /dispersion/dimers/Ru_5 dispersion_RuV-5-dimer-dispb-b-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 | -3009.2169322; Eh | |||
 | 1-Jul-2019 | /dispersion/dimers/Ru_2/dispersion_o4 Ru-2-O-O-dimer-dispersion | Craig, Michael | Gaussian; 09; EM64L-G09RevA.02 | Single point Structure | UTPSSh | LANL2DZ 6-31G(D) 6-31G(D,P) 6-31+G(D) GEN | -3753.355394; Eh | |||
 | 1-Jul-2019 | /dispersion/Ru_2/oh dispersion_Ru-2-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 | -1877.3060731; Eh | |||
 | 1-Jul-2019 | /dispersion/Ru_2/evac dispersion_Ru-2-VAC-dispersion | Craig, Michael | Gaussian; 09; EM64L-G09RevA.02 | Single point Structure | UTPSSh | LANL2DZ 6-31G(D) 6-31G(D,P) 6-31+G(D) GEN | -1801.4845698; Eh | |||
 | 1-Jul-2019 | /dispersion/Ru_2/o5 dispersion_Ru-2-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 | -1876.4516139; Eh | |||
 | 1-Jul-2019 | /dispersion/Ru_1/evac dispersion_Ru-1-VAC-dispersion | Craig, Michael | Gaussian; 09; EM64L-G09RevA.02 | Single point Structure | UTPSSh | LANL2DZ 6-31G(D) 6-31G(D,P) 6-31+G(D) GEN | -1769.4606841; Eh | |||
 | 1-Jul-2019 | /dispersion/Ru_1/o4 dispersion_Ru-1-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 | -1844.6421992; Eh |
Results 71-80 of 83 (Search time: 0.001 seconds).