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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_31a_19 OH//m06l_molsimps/Co_31a_19/OH LS Co_31a_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 | -1740.0735779; Eh | |||
 | 25-Feb-2021 | //m06l_molsimps/Co_3a1_29 VAC//m06l_molsimps/Co_3a1_29/VAC HS Co_3a1_29_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 | -1419.6282889; Eh | |||
 | 25-Feb-2021 | //m06l_molsimps/Co_3a1_2_ OOH//m06l_molsimps/Co_3a1_2_/OOH LS Co_3a1_2_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 | -1858.1577747; 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_3a1_20 VAC//m06l_molsimps/Co_3a1_20/VAC HS Co_3a1_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 | -1648.2300429; Eh | |||
 | 25-Feb-2021 | //m06l_molsimps/Co_3a1_22 OOH//m06l_molsimps/Co_3a1_22/OOH LS Co_3a1_22_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 | -1783.1830537; Eh | |||
 | 25-Feb-2021 | //m06l_molsimps/Co_3a1_22 OH//m06l_molsimps/Co_3a1_22/OH LS Co_3a1_22_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 | -1708.0514538; 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_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_ 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 |
Results 591-600 of 665 (Search time: 0.002 seconds).