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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 Ni_31a_20//gas_molsimps/Ni_31a_20 VAC//gas_molsimps/Ni_31a_20/VAC HS Ni_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 | -1672.5187148; Eh | |||
 | 25-Feb-2021 | //gas_molsimps Ni_31a_19//gas_molsimps/Ni_31a_19 OH//gas_molsimps/Ni_31a_19/OH LS Ni_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 | -1764.3000074; Eh | |||
 | 25-Feb-2021 | //gas_molsimps Mn_oct_desorbed_5_//gas_molsimps/Mn_oct_desorbed_5_ OH//gas_molsimps/Mn_oct_desorbed_5_/OH HS Mn_oct_desorbed_5_OH_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 | -1701.4966082; Eh | |||
 | 25-Feb-2021 | //gas_molsimps Mn_3a1_26//gas_molsimps/Mn_3a1_26 VAC//gas_molsimps/Mn_3a1_26/VAC HS Mn_3a1_26_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 | -1548.2288114; Eh | |||
 | 25-Feb-2021 | //gas_molsimps Mn_32a_34//gas_molsimps/Mn_32a_34 OOH//gas_molsimps/Mn_32a_34/OOH HS Mn_32a_34_OOH_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 | -1465.6760978; Eh | |||
 | 25-Feb-2021 | //gas_molsimps Mn_31a_26//gas_molsimps/Mn_31a_26 VAC//gas_molsimps/Mn_31a_26/VAC HS Mn_31a_26_VAC_HSbgas | Craig, Michael | Gaussian; 09; ES64L-G09RevE.01 | Single point Structure | UTPSSh | 6-31G(D,P) 6-31G(D) LANL2DZ 6-31+G(D) GEN | -1548.2188441; Eh | |||
 | 25-Feb-2021 | //gas_molsimps Ru_32a_31//gas_molsimps/Ru_32a_31 OH//gas_molsimps/Ru_32a_31/OH LS Ru_32a_31_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 | -1439.3746417; Eh | |||
 | 25-Feb-2021 | //gas_molsimps Ru_31a_23//gas_molsimps/Ru_31a_23 OOH//gas_molsimps/Ru_31a_23/OOH LS Ru_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 | -1578.4303925; Eh | |||
 | 25-Feb-2021 | //gas_molsimps Ru_31a_1_//gas_molsimps/Ru_31a_1_ VAC//gas_molsimps/Ru_31a_1_/VAC LS Ru_31a_1_VAC_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 | -1672.0298569; Eh | |||
 | 25-Feb-2021 | //gas_molsimps Ru_31a_1_//gas_molsimps/Ru_31a_1_ OH//gas_molsimps/Ru_31a_1_/OH LS Ru_31a_1_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 | -1747.8577505; Eh |
Results 181-190 of 2164 (Search time: 0.002 seconds).