Search
Add filters:
Use filters to refine the search results.
Item hits:
| Preview | Issue Date | Title | Author(s) | Program | Calculation type | Method(s) | Basis Set | Energy | Solv. | Vibr. | Orb. |
|---|---|---|---|---|---|---|---|---|---|---|---|
 | 25-Feb-2021 | //gas_molsimps Ru_31a_19//gas_molsimps/Ru_31a_19 VAC//gas_molsimps/Ru_31a_19/VAC LS Ru_31a_19_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 | -1613.136667; Eh | |||
 | 25-Feb-2021 | //gas_molsimps Ru_31a_19//gas_molsimps/Ru_31a_19 OOH//gas_molsimps/Ru_31a_19/OOH LS Ru_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 | -1764.1038385; Eh | |||
 | 25-Feb-2021 | //gas_molsimps Ru_31a_18//gas_molsimps/Ru_31a_18 OH//gas_molsimps/Ru_31a_18/OH LS Ru_31a_18_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 | -1540.0112988; Eh | |||
 | 25-Feb-2021 | //gas_molsimps Ru_31a_12//gas_molsimps/Ru_31a_12 OOH//gas_molsimps/Ru_31a_12/OOH LS Ru_31a_12_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 | -1501.771707; Eh | |||
 | 25-Feb-2021 | //gas_molsimps Ru_31a_10//gas_molsimps/Ru_31a_10 OOH//gas_molsimps/Ru_31a_10/OOH LS Ru_31a_10_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 | -1809.0864045; Eh | |||
 | 25-Feb-2021 | //gas_molsimps Ni_oct_desorbed_4_//gas_molsimps/Ni_oct_desorbed_4_ OOH//gas_molsimps/Ni_oct_desorbed_4_/OOH LS Ni_oct_desorbed_4_OOH_LS-cartesiangas | Craig, Michael | Gaussian; 09; ES64L-G09RevE.01 | Single point Structure | UTPSSh | 6-31G(D,P) 6-31G(D) LANL2DZ 6-31+G(D) GEN | -1995.6188675; Eh | |||
 | 25-Feb-2021 | //gas_molsimps Ni_oct_desorbed_2_//gas_molsimps/Ni_oct_desorbed_2_ OOH//gas_molsimps/Ni_oct_desorbed_2_/OOH LS Ni_oct_desorbed_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 | -2011.5733592; Eh | |||
 | 25-Feb-2021 | //gas_molsimps Ni_3a1_16//gas_molsimps/Ni_3a1_16 OH//gas_molsimps/Ni_3a1_16/OH LS Ni_3a1_16_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 | -1922.6504647; Eh | |||
 | 25-Feb-2021 | //gas_molsimps Ni_32a_35//gas_molsimps/Ni_32a_35 OOH//gas_molsimps/Ni_32a_35/OOH HS Ni_32a_35_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 | -1472.0504425; Eh | |||
 | 25-Feb-2021 | //gas_molsimps Ni_31a_2_//gas_molsimps/Ni_31a_2_ OH//gas_molsimps/Ni_31a_2_/OH LS Ni_31a_2_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 | -1807.1765182; Eh |
Results 171-180 of 2164 (Search time: 0.001 seconds).