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_32a_31 VAC//m06l_molsimps/Co_32a_31/VAC HS//m06l_molsimps/Co_32a_31/VAC/HS back Co_32a_31_VAC_HS-b_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 | -1414.8244704; Eh | |||
 | 25-Feb-2021 | //m06l_molsimps/Co_31a_6_ VAC//m06l_molsimps/Co_31a_6_/VAC HS//m06l_molsimps/Co_31a_6_/VAC/HS back Co_31a_6_VAC_HS-b_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 | -1383.9307913; Eh | |||
 | 25-Feb-2021 | //m06l_molsimps/Co_32a_31 OOH//m06l_molsimps/Co_32a_31/OOH LS Co_32a_31_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 | -1565.7824908; Eh | |||
 | 25-Feb-2021 | //m06l_molsimps/Co_31a_6_ OOH//m06l_molsimps/Co_31a_6_/OOH LS Co_31a_6_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 | -1534.8841235; Eh | |||
 | 25-Feb-2021 | //m06l_molsimps/Co_32a_31 OH//m06l_molsimps/Co_32a_31/OH LS Co_32a_31_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 | -1490.6487331; Eh | |||
 | 25-Feb-2021 | //m06l_molsimps/Co_31a_6_ OH//m06l_molsimps/Co_31a_6_/OH LS Co_31a_6_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 | -1459.7500974; Eh | |||
 | 25-Feb-2021 | //m06l_molsimps/Co_31a_24 VAC//m06l_molsimps/Co_31a_24/VAC HS Co_31a_24_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 | -1324.9700829; Eh | |||
 | 25-Feb-2021 | //m06l_molsimps/Co_31a_26 OOH//m06l_molsimps/Co_31a_26/OOH LS Co_31a_26_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 | -1740.233213; Eh | |||
 | 25-Feb-2021 | //m06l_molsimps/Co_31a_23 VAC//m06l_molsimps/Co_31a_23/VAC HS Co_31a_23_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 | -1478.5937725; Eh | |||
 | 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 |
Results 621-630 of 665 (Search time: 0.002 seconds).