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 | //ht_paper_misc mult_test_molsimps//ht_paper_misc/mult_test_molsimps Co_32a_31//ht_paper_misc/mult_test_molsimps/Co_32a_31 OH//ht_paper_misc/mult_test_molsimps/Co_32a_31/OH HS Co_32a_31_OH_HS | Craig, Michael | Gaussian; 09; ES64L-G09RevE.01 | Geometry optimization Minimum | UTPSSh | 6-31G(D,P) 6-31G(D) LANL2DZ 6-31+G(D) GEN | -1490.72551056; Eh | |||
 | 25-Feb-2021 | //gas_molsimps Ru_31a_24//gas_molsimps/Ru_31a_24 OH//gas_molsimps/Ru_31a_24/OH LS Ru_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 | -1349.6316295; Eh | |||
 | 25-Feb-2021 | //gas_molsimps Ru_31a_23//gas_molsimps/Ru_31a_23 VAC//gas_molsimps/Ru_31a_23/VAC LS Ru_31a_23_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 | -1427.4499018; Eh | |||
 | 25-Feb-2021 | //gas_molsimps Ru_31a_22//gas_molsimps/Ru_31a_22 OH//gas_molsimps/Ru_31a_22/OH LS Ru_31a_22_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 | -1656.9573458; Eh | |||
 | 25-Feb-2021 | //gas_molsimps Ru_31a_20//gas_molsimps/Ru_31a_20 OH//gas_molsimps/Ru_31a_20/OH LS Ru_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 | -1672.9544153; 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 | |||
 | 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_16//gas_molsimps/Ru_31a_16 VAC//gas_molsimps/Ru_31a_16/VAC LS Ru_31a_16_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 | -1771.4862984; Eh | |||
 | 25-Feb-2021 | //gas_molsimps Ru_31a_16//gas_molsimps/Ru_31a_16 OOH//gas_molsimps/Ru_31a_16/OOH LS Ru_31a_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 | -1922.4714105; Eh |
Results 171-180 of 2340 (Search time: 0.003 seconds).
Discover
Subject
Calculation type