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 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_30//gas_molsimps/Cr_3a1_30 VAC//gas_molsimps/Cr_3a1_30/VAC HS Cr_3a1_30_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 | -1207.276135; Eh | |||
 | 25-Feb-2021 | //gas_molsimps Cr_3a1_29//gas_molsimps/Cr_3a1_29 VAC//gas_molsimps/Cr_3a1_29/VAC HS Cr_3a1_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 | -1360.9318904; Eh | |||
 | 25-Feb-2021 | //gas_molsimps Cr_3a1_26//gas_molsimps/Cr_3a1_26 VAC//gas_molsimps/Cr_3a1_26/VAC HS Cr_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 | -1530.5988479; Eh | |||
 | 25-Feb-2021 | //gas_molsimps Cr_3a1_20//gas_molsimps/Cr_3a1_20 VAC//gas_molsimps/Cr_3a1_20/VAC HS Cr_3a1_20_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 | -1589.5685699; Eh | |||
 | 25-Feb-2021 | //gas_molsimps Cr_3a1_10//gas_molsimps/Cr_3a1_10 OOH//gas_molsimps/Cr_3a1_10/OOH HS Cr_3a1_10_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 | -1801.5714575; Eh | |||
 | 25-Feb-2021 | //gas_molsimps Cr_32a_35//gas_molsimps/Cr_32a_35 VAC//gas_molsimps/Cr_32a_35/VAC HS//gas_molsimps/Cr_32a_35/VAC/HS back Cr_32a_35_VAC_HS-b_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 | -1238.1736339; Eh | |||
 | 25-Feb-2021 | //gas_molsimps Cr_32a_31//gas_molsimps/Cr_32a_31 OOH//gas_molsimps/Cr_32a_31/OOH HS Cr_32a_31_OOH_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 | -1506.9686692; Eh | |||
 | 25-Feb-2021 | //gas_molsimps Cr_31a_8_//gas_molsimps/Cr_31a_8_ VAC//gas_molsimps/Cr_31a_8_/VAC HS Cr_31a_8_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 | -1666.5806291; Eh | |||
 | 25-Feb-2021 | //gas_molsimps Cr_31a_4_//gas_molsimps/Cr_31a_4_ OH//gas_molsimps/Cr_31a_4_/OH HS Cr_31a_4_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 | -1708.3082667; Eh |
Results 431-440 of 2970 (Search time: 0.001 seconds).
Discover
Subject