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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_32a_32 OH//m06l_molsimps/Co_32a_32/OH LS Co_32a_32_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 | -1508.6126597; Eh | |||
 | 25-Feb-2021 | //m06l_molsimps/Co_31a_30 VAC//m06l_molsimps/Co_31a_30/VAC HS Co_31a_30_VAC_HSbm06l | Craig, Michael | Gaussian; 09; ES64L-G09RevE.01 | Single point Structure | UM06L | 6-31G(D,P) 6-31G(D) LANL2DZ 6-31+G(D) GEN | -1266.0125239; Eh | |||
 | 25-Feb-2021 | //m06l_molsimps/Co_31a_30 OOH//m06l_molsimps/Co_31a_30/OOH LS Co_31a_30_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 | -1416.9588127; Eh | |||
 | 25-Feb-2021 | //m06l_molsimps/Co_31a_3_ OOH//m06l_molsimps/Co_31a_3_/OOH LS Co_31a_3_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 | -1704.522895; Eh | |||
 | 25-Feb-2021 | //m06l_molsimps/Co_31a_30 OH//m06l_molsimps/Co_31a_30/OH LS Co_31a_30_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 | -1341.8258208; Eh | |||
 | 25-Feb-2021 | //m06l_molsimps/Co_31a_3_ OH//m06l_molsimps/Co_31a_3_/OH LS Co_31a_3_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 | -1629.3926118; Eh | |||
 | 25-Feb-2021 | //m06l_molsimps/Co_31a_3_ VAC//m06l_molsimps/Co_31a_3_/VAC HS Co_31a_3_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 | -1553.5590483; Eh | |||
 | 25-Feb-2021 | //m06l_molsimps/Co_31a_5_ OH//m06l_molsimps/Co_31a_5_/OH LS Co_31a_5_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 | -1613.381156; Eh | |||
 | 25-Feb-2021 | //m06l_molsimps/Co_31a_18 OOH//m06l_molsimps/Co_31a_18/OOH LS Co_31a_18_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 | -1666.2388211; Eh | |||
 | 25-Feb-2021 | //m06l_molsimps/Co_31a_18 VAC//m06l_molsimps/Co_31a_18/VAC HS Co_31a_18_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 | -1515.28133; Eh |
Results 581-590 of 665 (Search time: 0.001 seconds).