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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_29 OH//m06l_molsimps/Co_3a1_29/OH LS Co_3a1_29_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 | -1495.4544917; Eh | |||
 | 25-Feb-2021 | //m06l_molsimps/Co_3a1_2_ OH//m06l_molsimps/Co_3a1_2_/OH LS Co_3a1_2_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 | -1783.0276448; Eh | |||
 | 25-Feb-2021 | //m06l_molsimps/Co_32a_35 OOH//m06l_molsimps/Co_32a_35/OOH LS Co_32a_35_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 | -1447.8531433; Eh | |||
 | 25-Feb-2021 | //m06l_molsimps/Co_32a_34 VAC//m06l_molsimps/Co_32a_34/VAC HS Co_32a_34_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 | -1355.8561764; Eh | |||
 | 25-Feb-2021 | //m06l_molsimps/Co_32a_34 OOH//m06l_molsimps/Co_32a_34/OOH LS Co_32a_34_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 | -1506.8183181; Eh | |||
 | 25-Feb-2021 | //m06l_molsimps/Co_32a_35 OH//m06l_molsimps/Co_32a_35/OH LS Co_32a_35_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 | -1372.7182091; Eh | |||
 | 25-Feb-2021 | //m06l_molsimps/Co_31a_20 OOH//m06l_molsimps/Co_31a_20/OOH LS Co_31a_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 | -1799.1960807; Eh | |||
 | 25-Feb-2021 | //m06l_molsimps/Co_31a_20 VAC//m06l_molsimps/Co_31a_20/VAC HS Co_31a_20_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 | -1648.2440279; Eh | |||
 | 25-Feb-2021 | //m06l_molsimps/Co_31a_23 OH//m06l_molsimps/Co_31a_23/OH LS Co_31a_23_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 | -1554.4202803; Eh | |||
 | 25-Feb-2021 | //m06l_molsimps/Co_31a_23 OOH//m06l_molsimps/Co_31a_23/OOH LS Co_31a_23_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 | -1629.5548931; Eh |
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