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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_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 | |||
 | 25-Feb-2021 | //gas_molsimps Co_31a_18//gas_molsimps/Co_31a_18 OH//gas_molsimps/Co_31a_18/OH LS Co_31a_18_OH_LSbgas | Craig, Michael | Gaussian; 09; ES64L-G09RevE.01 | Single point Structure | UTPSSh | 6-31G(D,P) 6-31G(D) LANL2DZ 6-31+G(D) GEN | -1591.1648683; Eh | |||
 | 25-Feb-2021 | //gas_molsimps Co_31a_17//gas_molsimps/Co_31a_17 OH//gas_molsimps/Co_31a_17/OH LS Co_31a_17_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 | -1744.822; Eh | |||
 | 25-Feb-2021 | //gas_molsimps Co_31a_15//gas_molsimps/Co_31a_15 OH//gas_molsimps/Co_31a_15/OH LS Co_31a_15_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 | -1760.8147029; Eh | |||
 | 25-Feb-2021 | //gas_molsimps Co_31a_19//gas_molsimps/Co_31a_19 VAC//gas_molsimps/Co_31a_19/VAC HS Co_31a_19_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 | -1664.3059289; Eh | |||
 | 25-Feb-2021 | //gas_molsimps Co_31a_18//gas_molsimps/Co_31a_18 OOH//gas_molsimps/Co_31a_18/OOH LS Co_31a_18_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 | -1666.299965; Eh |
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