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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_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 | |||
 | 25-Feb-2021 | //m06l_molsimps/Co_31a_19 OOH//m06l_molsimps/Co_31a_19/OOH LS Co_31a_19_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 | -1815.2088884; Eh | |||
 | 25-Feb-2021 | //m06l_molsimps/Co_31a_20 OH//m06l_molsimps/Co_31a_20/OH LS Co_31a_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 | -1724.0603893; Eh | |||
 | 25-Feb-2021 | //m06l_molsimps/Co_31a_19 VAC//m06l_molsimps/Co_31a_19/VAC HS Co_31a_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 | -1664.252416; Eh |
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