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 Ni_31a_20//gas_molsimps/Ni_31a_20 OOH//gas_molsimps/Ni_31a_20/OOH LS Ni_31a_20_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 | -1823.4647316; 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 Ni_31a_13//gas_molsimps/Ni_31a_13 VAC//gas_molsimps/Ni_31a_13/VAC HS Ni_31a_13_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 | -1878.8870183; Eh | |||
 | 25-Feb-2021 | //gas_molsimps Ni_31a_13//gas_molsimps/Ni_31a_13 OOH//gas_molsimps/Ni_31a_13/OOH LS Ni_31a_13_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 | -2029.8065418; Eh | |||
 | 25-Feb-2021 | //gas_molsimps Mn_oct_desorbed_5_//gas_molsimps/Mn_oct_desorbed_5_ VAC Mn_pbp_5_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 | -1625.6998622; Eh | |||
 | 25-Feb-2021 | //gas_molsimps Mn_oct_desorbed_3_//gas_molsimps/Mn_oct_desorbed_3_ VAC Mn_pbp_3_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 | -1641.6953795; 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_28//gas_molsimps/Mn_3a1_28 OOH//gas_molsimps/Mn_3a1_28/OOH HS Mn_3a1_28_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 | -1683.1881908; Eh | |||
 | 25-Feb-2021 | //gas_molsimps Mn_3a1_28//gas_molsimps/Mn_3a1_28 OH//gas_molsimps/Mn_3a1_28/OH HS Mn_3a1_28_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 | -1608.0528972; 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 |
Results 181-190 of 1788 (Search time: 0.001 seconds).
Discover
Subject