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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_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 | Co_pbp_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 | -1852.3863034; Eh | |||
 | 25-Feb-2021 | //m06l_molsimps/Co_3a1_7_ OH//m06l_molsimps/Co_3a1_7_/OH LS Co_3a1_7_OH_LS-fromOOHm06l | Craig, Michael | Gaussian; 09; ES64L-G09RevE.01 | Single point Structure | UM06L | 6-31G(D,P) 6-31G(D) LANL2DZ 6-31+G(D) GEN | -1817.0000085; Eh | |||
 | 25-Feb-2021 | //m06l_molsimps/Co_3a1_7_ OOH//m06l_molsimps/Co_3a1_7_/OOH LS Co_3a1_7_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 | -1892.1358529; Eh | |||
 | 25-Feb-2021 | //m06l_molsimps/Co_3a1_7_ VAC//m06l_molsimps/Co_3a1_7_/VAC HS Co_3a1_7_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 | -1741.1706563; Eh | |||
 | 25-Feb-2021 | //m06l_molsimps/Co_3a1_5_ OOH//m06l_molsimps/Co_3a1_5_/OOH LS Co_3a1_5_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 | -1688.5168939; Eh | |||
 | 25-Feb-2021 | //m06l_molsimps/Co_3a1_5_ VAC//m06l_molsimps/Co_3a1_5_/VAC HS Co_3a1_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 | -1537.5570616; Eh |
Results 551-560 of 665 (Search time: 0.002 seconds).