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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/Eo dispersion_Mn-11-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 | -1302.2306261; 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/Mn_10/Evac dispersion_Mn-10-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 | -1266.8104597; 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_4/Eo dispersion_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 | |||
 | 1-Jul-2019 | /dispersion/Ru_9/Eo dispersion_Ru-9-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 | -1983.5570376; 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/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_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 |
Results 61-70 of 83 (Search time: 0.001 seconds).