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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 Ru_31a_15//gas_molsimps/Ru_31a_15 VAC//gas_molsimps/Ru_31a_15/VAC LS Ru_31a_15_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 | -1633.8313707; Eh | |||
 | 25-Feb-2021 | //gas_molsimps Ru_31a_14//gas_molsimps/Ru_31a_14 OH//gas_molsimps/Ru_31a_14/OH LS Ru_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 | -1863.3335523; Eh | |||
 | 25-Feb-2021 | //gas_molsimps Ni_3a1_16//gas_molsimps/Ni_3a1_16 OOH//gas_molsimps/Ni_3a1_16/OOH LS Ni_3a1_16_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 | -1997.8172554; Eh | |||
 | 25-Feb-2021 | //gas_molsimps Ni_32a_31//gas_molsimps/Ni_32a_31 OOH//gas_molsimps/Ni_32a_31/OOH HS//gas_molsimps/Ni_32a_31/OOH/HS forw Ni_32a_31_OOH_HSb-f_3e-1gas | Craig, Michael | Gaussian; 09; ES64L-G09RevE.01 | Single point Structure | UTPSSh | 6-31G(D,P) 6-31G(D) LANL2DZ 6-31+G(D) GEN | -1589.860554; Eh | |||
 | 25-Feb-2021 | //gas_molsimps Ni_31a_2_//gas_molsimps/Ni_31a_2_ OOH//gas_molsimps/Ni_31a_2_/OOH LS Ni_31a_2_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 | -1882.3374109; Eh | |||
 | 25-Feb-2021 | //gas_molsimps Ni_31a_28//gas_molsimps/Ni_31a_28 OH//gas_molsimps/Ni_31a_28/OH LS Ni_31a_28_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 | -1673.3378422; Eh | |||
 | 25-Feb-2021 | //gas_molsimps Ni_31a_24//gas_molsimps/Ni_31a_24 VAC//gas_molsimps/Ni_31a_24/VAC HS Ni_31a_24_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 | -1349.1912571; Eh | |||
 | 25-Feb-2021 | //gas_molsimps Ni_31a_20//gas_molsimps/Ni_31a_20 OH//gas_molsimps/Ni_31a_20/OH LS Ni_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 | -1748.2906453; Eh | |||
 | 25-Feb-2021 | //gas_molsimps Mn_3a1_28//gas_molsimps/Mn_3a1_28 VAC//gas_molsimps/Mn_3a1_28/VAC HS Mn_3a1_28_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 | -1532.2263427; Eh | |||
 | 25-Feb-2021 | //gas_molsimps Mn_3a1_20//gas_molsimps/Mn_3a1_20 OH//gas_molsimps/Mn_3a1_20/OH HS Mn_3a1_20_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 | -1683.0168449; Eh |
Results 231-240 of 2164 (Search time: 0.002 seconds).