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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_5_ VAC//m06l_molsimps/Co_31a_5_/VAC HS Co_31a_5_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 | -1537.5512617; Eh | |||
 | 25-Feb-2021 | //m06l_molsimps/Co_31a_6_ OH//m06l_molsimps/Co_31a_6_/OH LS Co_31a_6_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 | -1459.7500974; Eh | |||
 | 25-Feb-2021 | //m06l_molsimps/Co_31a_14 OOH//m06l_molsimps/Co_31a_14/OOH LS Co_31a_14_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 | -1989.5122301; Eh | |||
 | 25-Feb-2021 | //m06l_molsimps/Co_31a_14 VAC//m06l_molsimps/Co_31a_14/VAC HS Co_31a_14_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 | -1838.5523945; Eh | |||
 | 25-Feb-2021 | //m06l_molsimps/Co_31a_14 OH//m06l_molsimps/Co_31a_14/OH LS Co_31a_14_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 | -1914.3774185; Eh | |||
 | 25-Feb-2021 | //m06l_molsimps/Co_31a_15 OOH//m06l_molsimps/Co_31a_15/OOH LS Co_31a_15_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 | -1835.8798499; Eh | |||
 | 25-Feb-2021 | //m06l_molsimps/Co_31a_15 OH//m06l_molsimps/Co_31a_15/OH LS Co_31a_15_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 | -1760.74546; Eh | |||
 | 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_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 |
Results 501-510 of 526 (Search time: 0.002 seconds).