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. |
|---|---|---|---|---|---|---|---|---|---|---|---|
 | 27-Sep-2021 | SCO_M06L_S17_LS | Vidal, Daniel | Gaussian; 16; ES64L-G16RevB.01 | Single point Structure | UM06L | DEF2TZVP | -2444.38334600; Eh | |||
 | 25-Feb-2021 | //m06l_molsimps Cr_3a1_9_//m06l_molsimps/Cr_3a1_9_ OOH//m06l_molsimps/Cr_3a1_9_/OOH HS Cr_3a1_9_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 | -1663.7875259; Eh | |||
 | 25-Feb-2021 | //m06l_molsimps Cr_3a1_9_//m06l_molsimps/Cr_3a1_9_ VAC//m06l_molsimps/Cr_3a1_9_/VAC HS Cr_3a1_9_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 | -1512.7891536; Eh | |||
 | 25-Feb-2021 | //m06l_molsimps Ru_3a1_26//m06l_molsimps/Ru_3a1_26 OOH//m06l_molsimps/Ru_3a1_26/OOH LS Ru_3a1_26_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 | -1689.0168245; Eh | |||
 | 25-Feb-2021 | //m06l_molsimps Ru_3a1_14//m06l_molsimps/Ru_3a1_14 OOH//m06l_molsimps/Ru_3a1_14/OOH LS Ru_3a1_14_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 | -1938.3001181; Eh | |||
 | 25-Feb-2021 | //m06l_molsimps Ru_3a1_14//m06l_molsimps/Ru_3a1_14 VAC//m06l_molsimps/Ru_3a1_14/VAC LS Ru_3a1_14_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 | -1787.3287987; Eh | |||
 | 25-Feb-2021 | //m06l_molsimps Cr_3a1_9_//m06l_molsimps/Cr_3a1_9_ OH//m06l_molsimps/Cr_3a1_9_/OH HS Cr_3a1_9_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 | -1588.6538644; Eh | |||
 | 25-Feb-2021 | //m06l_molsimps Ru_3a1_26//m06l_molsimps/Ru_3a1_26 OH//m06l_molsimps/Ru_3a1_26/OH LS Ru_3a1_26_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 | -1613.8862153; Eh | |||
 | 25-Feb-2021 | //m06l_molsimps Ru_3a1_26//m06l_molsimps/Ru_3a1_26 VAC//m06l_molsimps/Ru_3a1_26/VAC LS Ru_3a1_26_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 | -1538.0526808; Eh | |||
 | 25-Feb-2021 | //m06l_molsimps Ru_3a1_14//m06l_molsimps/Ru_3a1_14 OH//m06l_molsimps/Ru_3a1_14/OH LS Ru_3a1_14_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 | -1863.1626637; Eh |
Results 31-40 of 557 (Search time: 0.001 seconds).
Discover
Subject
Program name
- 557 Gaussian