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 Co_31a_3_//gas_molsimps/Co_31a_3_ VAC//gas_molsimps/Co_31a_3_/VAC HS Co_31a_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 | -1553.5160017; Eh | |||
 | 25-Feb-2021 | //gas_molsimps Co_31a_24//gas_molsimps/Co_31a_24 OOH//gas_molsimps/Co_31a_24/OOH LS Co_31a_24_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 | -1475.9325048; Eh | |||
 | 25-Feb-2021 | //gas_molsimps Fe_31a_29//gas_molsimps/Fe_31a_29 VAC//gas_molsimps/Fe_31a_29/VAC HS Fe_31a_29_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 | -1398.0523517; Eh | |||
 | 25-Feb-2021 | //gas_molsimps Fe_31a_9_//gas_molsimps/Fe_31a_9_ OOH//gas_molsimps/Fe_31a_9_/OOH HS Fe_31a_9_OOH_HS-continuegas | Craig, Michael | Gaussian; 09; ES64L-G09RevE.01 | Single point Structure | UTPSSh | 6-31G(D,P) 6-31G(D) LANL2DZ 6-31+G(D) GEN | -1700.9555337; Eh | |||
 | 25-Feb-2021 | //gas_molsimps Fe_31a_26//gas_molsimps/Fe_31a_26 VAC//gas_molsimps/Fe_31a_26/VAC HS Fe_31a_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 | -1567.7149847; Eh | |||
 | 25-Feb-2021 | //gas_molsimps Fe_31a_11//gas_molsimps/Fe_31a_11 OOH//gas_molsimps/Fe_31a_11/OOH HS Fe_31a_11_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 | -1684.9602042; Eh | |||
 | 25-Feb-2021 | //gas_molsimps Cr_oct_desorbed_5_//gas_molsimps/Cr_oct_desorbed_5_ OOH//gas_molsimps/Cr_oct_desorbed_5_/OOH HS Cr_oct_desorbed_5_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 | -1759.0326748; Eh | |||
 | 25-Feb-2021 | //gas_molsimps Cr_41a_3_//gas_molsimps/Cr_41a_3_ VAC//gas_molsimps/Cr_41a_3_/VAC HS Cr_41a_3_VAC_HS-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 | -1323.1803065; Eh | |||
 | 25-Feb-2021 | //gas_molsimps Cr_3a1_9_//gas_molsimps/Cr_3a1_9_ VAC//gas_molsimps/Cr_3a1_9_/VAC HS Cr_3a1_9_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 | -1512.8945048; Eh | |||
 | 25-Feb-2021 | //gas_molsimps Cr_3a1_25//gas_molsimps/Cr_3a1_25 VAC//gas_molsimps/Cr_3a1_25/VAC HS Cr_3a1_25_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 | -1546.6005099; Eh |
Results 431-440 of 907 (Search time: 0.002 seconds).
Discover
Subject
Program name
- 907 Gaussian