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| Preview | Issue Date | Title | Author(s) | Program | Calculation type | Method(s) | Basis Set | Energy | Solv. | Vibr. | Orb. |
|---|---|---|---|---|---|---|---|---|---|---|---|
 | 25-Feb-2021 | //m06l_molsimps/Co_3a1_19 VAC//m06l_molsimps/Co_3a1_19/VAC HS Co_3a1_19_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 | -1664.2502339; Eh | |||
 | 25-Feb-2021 | //m06l_molsimps/Co_3a1_1_ OOH//m06l_molsimps/Co_3a1_1_/OOH LS Co_3a1_1_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 | -1874.1687765; Eh | |||
 | 25-Feb-2021 | //m06l_molsimps/Co_3a1_20 OH//m06l_molsimps/Co_3a1_20/OH LS Co_3a1_20_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 | -1724.0598274; Eh | |||
 | 25-Feb-2021 | //m06l_molsimps/Co_3a1_1_ OH//m06l_molsimps/Co_3a1_1_/OH LS Co_3a1_1_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 | -1799.0358766; Eh | |||
 | 25-Feb-2021 | //m06l_molsimps/Co_3a1_1_ VAC//m06l_molsimps/Co_3a1_1_/VAC HS Co_3a1_1_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 | -1723.199806; Eh | |||
 | 25-Feb-2021 | //m06l_molsimps/Co_3a1_20 OOH//m06l_molsimps/Co_3a1_20/OOH LS Co_3a1_20_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 | -1799.1980028; Eh | |||
 | 25-Feb-2021 | //m06l_molsimps/Co_31a_15 VAC//m06l_molsimps/Co_31a_15/VAC HS Co_31a_15_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 | -1684.9220546; Eh | |||
 | 25-Feb-2021 | //m06l_molsimps/Co_31a_17 OH//m06l_molsimps/Co_31a_17/OH LS Co_31a_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 | -1744.7361521; 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 |
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