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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_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 | |||
 | 1-Jul-2019 | /dispersion/Ru_3/Evac dispersion_Ru-3-VAC-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 | -1540.7813994; Eh | |||
 | 1-Jul-2019 | /dispersion/Ru_3/Eoh dispersion_Ru-3-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 | -1616.6027426; Eh | |||
 | 1-Jul-2019 | /dispersion/dimers/Ru_1 Ru-1-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 | -3688.9174071; Eh | |||
 | 1-Jul-2019 | /dispersion/dimers/Ru_2 dispersion_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 | -3752.9500935; Eh | |||
 | 1-Jul-2019 | /dispersion/dimers/Ru_3 dispersion_Ru-3-O-O-dimer-bb-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 | -3231.5254714; Eh | |||
 | 1-Jul-2019 | /dispersion/dimers/Ru_2/dispersion_o5 Ru-2-O-O-dimer-dispersion | Craig, Michael | Gaussian; 09; EM64L-G09RevA.02 | Single point Structure | - | LANL2DZ 6-31G(D) 6-31G(D,P) 6-31+G(D) | -3752.96444105; Eh | |||
 | 1-Jul-2019 | /dispersion/Ru_2/o4 dispersion_Ru-2-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 | -1876.6657281; Eh | |||
 | 1-Jul-2019 | /dispersion/Ru_2/ooh dispersion_Ru-2-OOH-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 | -1952.4561609; Eh |
Results 61-70 of 83 (Search time: 0.001 seconds).