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| Preview | Issue Date | Title | Author(s) | Program | Calculation type | Method(s) | Basis Set | Energy | Solv. | Vibr. | Orb. |
|---|---|---|---|---|---|---|---|---|---|---|---|
 | 25-Feb-2021 | //gas_molsimps Co_3a1_22//gas_molsimps/Co_3a1_22 OOH//gas_molsimps/Co_3a1_22/OOH LS Co_3a1_22_OOH_LSgas | Craig, Michael | Gaussian; 09; ES64L-G09RevE.01 | Single point Structure | UTPSSh | 6-31G(D,P) 6-31G(D) LANL2DZ 6-31+G(D) GEN | -1783.2550046; Eh | |||
 | 25-Feb-2021 | //gas_molsimps Co_3a1_1_//gas_molsimps/Co_3a1_1_ VAC//gas_molsimps/Co_3a1_1_/VAC HS Co_3a1_1_VAC_HSgas | Craig, Michael | Gaussian; 09; ES64L-G09RevE.01 | Single point Structure | UTPSSh | 6-31G(D,P) 6-31G(D) LANL2DZ 6-31+G(D) GEN | -1723.1797013; Eh | |||
 | 25-Feb-2021 | //gas_molsimps Co_3a1_17//gas_molsimps/Co_3a1_17 VAC//gas_molsimps/Co_3a1_17/VAC HS Co_3a1_17_VAC_HSgas | Craig, Michael | Gaussian; 09; ES64L-G09RevE.01 | Single point Structure | UTPSSh | 6-31G(D,P) 6-31G(D) LANL2DZ 6-31+G(D) GEN | -1669.0154666; Eh | |||
 | 25-Feb-2021 | //gas_molsimps Co_3a1_10//gas_molsimps/Co_3a1_10 VAC//gas_molsimps/Co_3a1_10/VAC HS Co_3a1_10_VAC_HSgas | Craig, Michael | Gaussian; 09; ES64L-G09RevE.01 | Single point Structure | UTPSSh | 6-31G(D,P) 6-31G(D) LANL2DZ 6-31+G(D) GEN | -1709.2908606; Eh | |||
 | 25-Feb-2021 | //gas_molsimps Co_32a_35//gas_molsimps/Co_32a_35 VAC//gas_molsimps/Co_32a_35/VAC HS Co_32a_35_VAC_HSgas | Craig, Michael | Gaussian; 09; ES64L-G09RevE.01 | Single point Structure | UTPSSh | 6-31G(D,P) 6-31G(D) LANL2DZ 6-31+G(D) GEN | -1296.8797672; Eh | |||
 | 25-Feb-2021 | //gas_molsimps Co_32a_34//gas_molsimps/Co_32a_34 OOH//gas_molsimps/Co_32a_34/OOH LS Co_32a_34_OOH_LSgas | Craig, Michael | Gaussian; 09; ES64L-G09RevE.01 | Single point Structure | UTPSSh | 6-31G(D,P) 6-31G(D) LANL2DZ 6-31+G(D) GEN | -1506.7975666; Eh | |||
 | 25-Feb-2021 | //gas_molsimps Co_31a_30//gas_molsimps/Co_31a_30 OOH//gas_molsimps/Co_31a_30/OOH LS Co_31a_30_OOH_LSgas | Craig, Michael | Gaussian; 09; ES64L-G09RevE.01 | Single point Structure | UTPSSh | 6-31G(D,P) 6-31G(D) LANL2DZ 6-31+G(D) GEN | -1416.9734894; Eh | |||
 | 25-Feb-2021 | //gas_molsimps Co_31a_24//gas_molsimps/Co_31a_24 OH//gas_molsimps/Co_31a_24/OH LS Co_31a_24_OH_LSgas | Craig, Michael | Gaussian; 09; ES64L-G09RevE.01 | Single point Structure | UTPSSh | 6-31G(D,P) 6-31G(D) LANL2DZ 6-31+G(D) GEN | -1400.787104; Eh | |||
 | 25-Feb-2021 | //gas_molsimps Co_31a_23//gas_molsimps/Co_31a_23 OOH//gas_molsimps/Co_31a_23/OOH LS Co_31a_23_OOH_LSgas | Craig, Michael | Gaussian; 09; ES64L-G09RevE.01 | Single point Structure | UTPSSh | 6-31G(D,P) 6-31G(D) LANL2DZ 6-31+G(D) GEN | -1629.5882901; Eh | |||
 | 25-Feb-2021 | //gas_molsimps Co_31a_20//gas_molsimps/Co_31a_20 VAC//gas_molsimps/Co_31a_20/VAC HS Co_31a_20_VAC_HSgas | Craig, Michael | Gaussian; 09; ES64L-G09RevE.01 | Single point Structure | UTPSSh | 6-31G(D,P) 6-31G(D) LANL2DZ 6-31+G(D) GEN | -1648.3008453; Eh |
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