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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_25 OOH//m06l_molsimps/Co_3a1_25/OOH LS Co_3a1_25_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 | -1756.2389977; Eh | |||
 | 25-Feb-2021 | //m06l_molsimps/Co_3a1_26 OH//m06l_molsimps/Co_3a1_26/OH LS Co_3a1_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 | -1665.0950839; Eh | |||
 | 25-Feb-2021 | //m06l_molsimps/Co_3a1_26 VAC//m06l_molsimps/Co_3a1_26/VAC HS Co_3a1_26_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 | -1589.2705395; Eh | |||
 | 25-Feb-2021 | //m06l_molsimps/Co_3a1_27 OH//m06l_molsimps/Co_3a1_27/OH LS Co_3a1_27_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 | -1511.4650463; Eh | |||
 | 25-Feb-2021 | //m06l_molsimps/Co_3a1_25 OH//m06l_molsimps/Co_3a1_25/OH LS Co_3a1_25_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 | -1681.1039245; Eh | |||
 | 25-Feb-2021 | //m06l_molsimps/Co_3a1_19 OOH//m06l_molsimps/Co_3a1_19/OOH LS Co_3a1_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 | -1815.2057265; Eh | |||
 | 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_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_31a_26 VAC//m06l_molsimps/Co_31a_26/VAC HS Co_31a_26_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 | -1589.2702956; Eh |
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