Search
Add filters:
Use filters to refine the search results.
Item hits:
Preview | Issue Date | Title | Author(s) | Program | Calculation type | Method(s) | Basis Set | Energy | Solv. | Vibr. | Orb. |
---|---|---|---|---|---|---|---|---|---|---|---|
1-Jul-2019 | /dispersion/Ru_8/Eo dispersion_Ru-8-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 | -2396.1383518; Eh | ||||
1-Jul-2019 | /dispersion/Ru_8/Evac dispersion_Ru-8-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 | -2320.9607824; Eh | ||||
1-Jul-2019 | /dispersion/Ru_7/Eooh dispersion_Ru-7-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 | -1860.2314288; Eh | ||||
1-Jul-2019 | /dispersion/Ru_7/Eo5 dispersion_Ru-7-O5 | Craig, Michael | Gaussian; 09; EM64L-G09RevA.02 | Single point Structure | UTPSSh | LANL2DZ 6-31G(D) 6-31G(D,P) 6-31+G(D) GEN | -1784.2187737; Eh | ||||
1-Jul-2019 | /dispersion/Ru_6/Eo5 dispersion_Ru-6-Oc-dispf2b-cartesian | Craig, Michael | Gaussian; 09; EM64L-G09RevA.02 | Single point Structure | UTPSSh | LANL2DZ 6-31G(D) 6-31G(D,P) 6-31+G(D) GEN | -1438.8107522; Eh | ||||
1-Jul-2019 | /dispersion/Ru_6/Eooh dispersion_Ru-6-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 | -1514.8399916; Eh | ||||
1-Jul-2019 | /dispersion/Ru_6/Eoh dispersion_Ru-6-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 | -1439.693501; Eh | ||||
1-Jul-2019 | /dispersion/Ru_4/Eoh dispersion_Ru-4-OHf-dispffbf07-b | Craig, Michael | Gaussian; 09; EM64L-G09RevA.02 | Geometry optimization TS | UTPSSh | LANL2DZ 6-31G(D) 6-31G(D,P) 6-31+G(D) GEN | -1505.15429665; 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_9/Eooh dispersion_Ru-9-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 | -2059.3508641; Eh |
Results 41-50 of 254 (Search time: 0.001 seconds).
Discover
Program name
- 254 Gaussian
Calculation type