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. |
|---|---|---|---|---|---|---|---|---|---|---|---|
 | 25-Feb-2021 | //m06l_molsimps/Co_31a_24 OOH//m06l_molsimps/Co_31a_24/OOH LS Co_31a_24_OOH_LSm06l | Craig, Michael | Gaussian; 09; ES64L-G09RevE.01 | Single point Structure | UM06L | 6-31G(D,P) 6-31G(D) LANL2DZ 6-31+G(D) GEN | -1475.9251121; Eh | |||
 | 25-Feb-2021 | //m06l_molsimps/Co_31a_26 OH//m06l_molsimps/Co_31a_26/OH LS Co_31a_26_OH_LSm06l | Craig, Michael | Gaussian; 09; ES64L-G09RevE.01 | Single point Structure | UM06L | 6-31G(D,P) 6-31G(D) LANL2DZ 6-31+G(D) GEN | -1665.0978592; Eh | |||
 | 25-Feb-2021 | //m06l_molsimps/Co_31a_24 OH//m06l_molsimps/Co_31a_24/OH LS Co_31a_24_OH_LSm06l | Craig, Michael | Gaussian; 09; ES64L-G09RevE.01 | Single point Structure | UM06L | 6-31G(D,P) 6-31G(D) LANL2DZ 6-31+G(D) GEN | -1400.7895494; Eh | |||
 | 25-Feb-2021 | //m06l_molsimps/Co_31a_20 VAC//m06l_molsimps/Co_31a_20/VAC HS Co_31a_20_VAC_HSm06l | Craig, Michael | Gaussian; 09; ES64L-G09RevE.01 | Single point Structure | UM06L | 6-31G(D,P) 6-31G(D) LANL2DZ 6-31+G(D) GEN | -1648.2440279; Eh | |||
 | 25-Feb-2021 | //m06l_molsimps/Co_31a_23 OH//m06l_molsimps/Co_31a_23/OH LS Co_31a_23_OH_LSm06l | Craig, Michael | Gaussian; 09; ES64L-G09RevE.01 | Single point Structure | UM06L | 6-31G(D,P) 6-31G(D) LANL2DZ 6-31+G(D) GEN | -1554.4202803; Eh | |||
 | 25-Feb-2021 | //m06l_molsimps/Co_31a_23 OOH//m06l_molsimps/Co_31a_23/OOH LS Co_31a_23_OOH_LSm06l | Craig, Michael | Gaussian; 09; ES64L-G09RevE.01 | Single point Structure | UM06L | 6-31G(D,P) 6-31G(D) LANL2DZ 6-31+G(D) GEN | -1629.5548931; Eh |
Results 521-526 of 526 (Search time: 0.001 seconds).
Discover
Program name
- 526 Gaussian