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 | //m06l_molsimps Fe_31a_29//m06l_molsimps/Fe_31a_29 OH//m06l_molsimps/Fe_31a_29/OH HS Fe_31a_29_OH_HSm06l | Craig, Michael | Gaussian; 09; ES64L-G09RevE.01 | Single point Structure | UM06L | 6-31G(D,P) 6-31G(D) LANL2DZ 6-31+G(D) GEN | -1473.8318711; Eh | |||
 | 25-Feb-2021 | //m06l_molsimps Ru_31a_19//m06l_molsimps/Ru_31a_19 VAC//m06l_molsimps/Ru_31a_19/VAC LS Ru_31a_19_VAC_LSm06l | Craig, Michael | Gaussian; 09; ES64L-G09RevE.01 | Single point Structure | UM06L | 6-31G(D,P) 6-31G(D) LANL2DZ 6-31+G(D) GEN | -1613.041298; Eh | |||
 | 25-Feb-2021 | //m06l_molsimps Mn_31a_26//m06l_molsimps/Mn_31a_26 OOH//m06l_molsimps/Mn_31a_26/OOH HS Mn_31a_26_OOH_HSm06l | Craig, Michael | Gaussian; 09; ES64L-G09RevE.01 | Single point Structure | UM06L | 6-31G(D,P) 6-31G(D) LANL2DZ 6-31+G(D) GEN | -1699.1065345; Eh | |||
 | 25-Feb-2021 | //m06l_molsimps Mn_31a_26//m06l_molsimps/Mn_31a_26 OH//m06l_molsimps/Mn_31a_26/OH HS//m06l_molsimps/Mn_31a_26/OH/HS forw Mn_31a_26_OH_HS-f_3e-1m06l | Craig, Michael | Gaussian; 09; ES64L-G09RevE.01 | Single point Structure | UM06L | 6-31G(D,P) 6-31G(D) LANL2DZ 6-31+G(D) GEN | -1623.9769959; Eh | |||
 | 25-Feb-2021 | //m06l_molsimps Ni_31a_30//m06l_molsimps/Ni_31a_30 OH//m06l_molsimps/Ni_31a_30/OH LS Ni_31a_30_OH_LSm06l | Craig, Michael | Gaussian; 09; ES64L-G09RevE.01 | Single point Structure | UM06L | 6-31G(D,P) 6-31G(D) LANL2DZ 6-31+G(D) GEN | -1366.0250816; Eh | |||
 | 25-Feb-2021 | //m06l_molsimps Mn_3a1_28//m06l_molsimps/Mn_3a1_28 OOH//m06l_molsimps/Mn_3a1_28/OOH HS Mn_3a1_28_OOH_HSm06l | Craig, Michael | Gaussian; 09; ES64L-G09RevE.01 | Single point Structure | UM06L | 6-31G(D,P) 6-31G(D) LANL2DZ 6-31+G(D) GEN | -1683.0978155; Eh | |||
 | 25-Feb-2021 | //m06l_molsimps Cr_32a_33//m06l_molsimps/Cr_32a_33 VAC//m06l_molsimps/Cr_32a_33/VAC HS Cr_32a_33_VAC_HSm06l | Craig, Michael | Gaussian; 09; ES64L-G09RevE.01 | Single point Structure | UM06L | 6-31G(D,P) 6-31G(D) LANL2DZ 6-31+G(D) GEN | -1487.4274697; Eh | |||
 | 25-Feb-2021 | //m06l_molsimps Cr_32a_33//m06l_molsimps/Cr_32a_33 OOH//m06l_molsimps/Cr_32a_33/OOH HS Cr_32a_33_OOH_HSm06l | Craig, Michael | Gaussian; 09; ES64L-G09RevE.01 | Single point Structure | UM06L | 6-31G(D,P) 6-31G(D) LANL2DZ 6-31+G(D) GEN | -1638.4183037; Eh | |||
 | 25-Feb-2021 | //m06l_molsimps Ru_3a1_30//m06l_molsimps/Ru_3a1_30 OOH//m06l_molsimps/Ru_3a1_30/OOH LS Ru_3a1_30_OOH_LSm06l | Craig, Michael | Gaussian; 09; ES64L-G09RevE.01 | Single point Structure | UM06L | 6-31G(D,P) 6-31G(D) LANL2DZ 6-31+G(D) GEN | -1365.7423744; Eh | |||
 | 25-Feb-2021 | //m06l_molsimps Ru_31a_6_//m06l_molsimps/Ru_31a_6_ VAC//m06l_molsimps/Ru_31a_6_/VAC LS Ru_31a_6_VAC_LSm06l | Craig, Michael | Gaussian; 09; ES64L-G09RevE.01 | Single point Structure | UM06L | 6-31G(D,P) 6-31G(D) LANL2DZ 6-31+G(D) GEN | -1332.7147716; Eh |
Results 101-110 of 526 (Search time: 0.002 seconds).
Discover
Program name
- 526 Gaussian