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 | //tpssh_molsimps Fe_31a_24//tpssh_molsimps/Fe_31a_24 VAC//tpssh_molsimps/Fe_31a_24/VAC HS Fe_31a_24_VAC_HS | Craig, Michael | Gaussian; 09; ES64L-G09RevE.01 | Single point Structure | - | 6-31G(D,P) 6-31G(D) LANL2DZ 6-31+G(D) | -1303.45295856; Eh | |||
 | 25-Feb-2021 | //tpssh_molsimps Mn_3a1_10//tpssh_molsimps/Mn_3a1_10 OOH//tpssh_molsimps/Mn_3a1_10/OOH HS Mn_3a1_10_OOH_HScalcfc | Craig, Michael | Gaussian; 09; ES64L-G09RevE.01 | Single point Structure | - | 6-31G(D,P) 6-31G(D) LANL2DZ 6-31+G(D) | -1819.18096108; Eh | |||
 | 25-Feb-2021 | //tpssh_molsimps Mn_3a1_10//tpssh_molsimps/Mn_3a1_10 OH//tpssh_molsimps/Mn_3a1_10/OH HS Mn_3a1_10_OH_HS | Craig, Michael | Gaussian; 09; ES64L-G09RevE.01 | Single point Structure | - | 6-31G(D,P) 6-31G(D) LANL2DZ 6-31+G(D) | -1744.05894449; Eh | |||
 | 25-Feb-2021 | //tpssh_molsimps Mn_3a1_10//tpssh_molsimps/Mn_3a1_10 VAC//tpssh_molsimps/Mn_3a1_10/VAC HS Mn_3a1_10_VAC_HS | Craig, Michael | Gaussian; 09; ES64L-G09RevE.01 | Single point Structure | - | 6-31G(D,P) 6-31G(D) LANL2DZ 6-31+G(D) | -1668.24704988; Eh | |||
 | 25-Feb-2021 | //tpssh_molsimps Fe_31a_27//tpssh_molsimps/Fe_31a_27 OH//tpssh_molsimps/Fe_31a_27/OH HS Fe_31a_27_OH_HS | Craig, Michael | Gaussian; 09; ES64L-G09RevE.01 | Single point Structure | - | 6-31G(D,P) 6-31G(D) LANL2DZ 6-31+G(D) | -1489.93913091; Eh | |||
 | 25-Feb-2021 | //m06l_molsimps/Co_3a1_13 VAC//m06l_molsimps/Co_3a1_13/VAC HS//m06l_molsimps/Co_3a1_13/VAC/HS forw Co_3a1_13_VAC_HS-f_3e-1m06l | Craig, Michael | Gaussian; 09; ES64L-G09RevE.01 | Single point Structure | UM06L | 6-31G(D,P) 6-31G(D) LANL2DZ 6-31+G(D) GEN | -1854.5584013; Eh | |||
 | 25-Feb-2021 | //m06l_molsimps/Co_3a1_17 VAC//m06l_molsimps/Co_3a1_17/VAC HS Co_3a1_17_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 | -1668.9119197; Eh | |||
 | 25-Feb-2021 | //m06l_molsimps/Co_3a1_17 OOH//m06l_molsimps/Co_3a1_17/OOH LS Co_3a1_17_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 | -1819.8674913; Eh | |||
 | 25-Feb-2021 | //m06l_molsimps/Co_3a1_17 OH//m06l_molsimps/Co_3a1_17/OH LS Co_3a1_17_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 | -1744.7340515; Eh | |||
 | 25-Feb-2021 | //m06l_molsimps/Co_3a1_19 OH//m06l_molsimps/Co_3a1_19/OH LS Co_3a1_19_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 | -1740.0691248; Eh |
Results 1431-1440 of 1516 (Search time: 0.003 seconds).
Discover
Subject
Program name
- 1516 Gaussian