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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_31a_14//gas_molsimps/Co_31a_14 VAC//gas_molsimps/Co_31a_14/VAC HS Co_31a_14_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 | -1838.6735042; Eh | |||
 | 25-Feb-2021 | //gas_molsimps Co_31a_19//gas_molsimps/Co_31a_19 OH//gas_molsimps/Co_31a_19/OH LS Co_31a_19_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 | -1740.1158922; Eh | |||
 | 25-Feb-2021 | //gas_molsimps Co_31a_14//gas_molsimps/Co_31a_14 OH//gas_molsimps/Co_31a_14/OH LS Co_31a_14_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 | -1914.4833793; Eh | |||
 | 25-Feb-2021 | //gas_molsimps Co_31a_20//gas_molsimps/Co_31a_20 OOH//gas_molsimps/Co_31a_20/OOH LS Co_31a_20_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 | -1799.2512713; Eh | |||
 | 25-Feb-2021 | //gas_molsimps Co_31a_19//gas_molsimps/Co_31a_19 OOH//gas_molsimps/Co_31a_19/OOH LS Co_31a_19_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 | -1815.262156; Eh | |||
 | 25-Feb-2021 | //gas_molsimps Co_31a_18//gas_molsimps/Co_31a_18 VAC//gas_molsimps/Co_31a_18/VAC HS Co_31a_18_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 | -1515.3548799; Eh | |||
 | 25-Feb-2021 | //gas_molsimps Co_31a_17//gas_molsimps/Co_31a_17 OOH//gas_molsimps/Co_31a_17/OOH LS Co_31a_17_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 | -1819.96283; Eh | |||
 | 25-Feb-2021 | //gas_molsimps Co_31a_15//gas_molsimps/Co_31a_15 OOH//gas_molsimps/Co_31a_15/OOH LS Co_31a_15_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 | -1835.9580222; Eh | |||
 | 25-Feb-2021 | //gas_molsimps Co_31a_23//gas_molsimps/Co_31a_23 OH//gas_molsimps/Co_31a_23/OH LS Co_31a_23_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 | -1554.4446405; Eh | |||
 | 25-Feb-2021 | //gas_molsimps Co_31a_20//gas_molsimps/Co_31a_20 OH//gas_molsimps/Co_31a_20/OH LS Co_31a_20_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 | -1724.1041103; Eh |
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