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 Ru_31a_11//m06l_molsimps/Ru_31a_11 OOH//m06l_molsimps/Ru_31a_11/OOH LS Ru_31a_11_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 | -1655.2699946; Eh | |||
 | 25-Feb-2021 | //m06l_molsimps Ru_oct_desorbed_3_//m06l_molsimps/Ru_oct_desorbed_3_ OOH//m06l_molsimps/Ru_oct_desorbed_3_/OOH LS Ru_oct_desorbed_3_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 | -1782.4730538; Eh | |||
 | 25-Feb-2021 | //m06l_molsimps Ru_3a1_5_//m06l_molsimps/Ru_3a1_5_ OH//m06l_molsimps/Ru_3a1_5_/OH LS Ru_3a1_5_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 | -1562.1703023; Eh | |||
 | 25-Feb-2021 | //m06l_molsimps Ru_oct_desorbed_1_//m06l_molsimps/Ru_oct_desorbed_1_ OOH//m06l_molsimps/Ru_oct_desorbed_1_/OOH LS Ru_oct_desorbed_1_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 | -1952.1152825; Eh | |||
 | 25-Feb-2021 | //m06l_molsimps Fe_31a_11//m06l_molsimps/Fe_31a_11 OH//m06l_molsimps/Fe_31a_11/OH HS Fe_31a_11_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 | -1609.7312333; Eh | |||
 | 25-Feb-2021 | //m06l_molsimps Cr_oct_desorbed_2_//m06l_molsimps/Cr_oct_desorbed_2_ OOH//m06l_molsimps/Cr_oct_desorbed_2_/OOH HS Cr_oct_desorbed_2_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 | -1928.5950066; Eh | |||
 | 25-Feb-2021 | //m06l_molsimps Fe_31a_9_//m06l_molsimps/Fe_31a_9_ OOH//m06l_molsimps/Fe_31a_9_/OOH HS Fe_31a_9_OOH_HS-continuem06l | Craig, Michael | Gaussian; 09; ES64L-G09RevE.01 | Single point Structure | UM06L | 6-31G(D,P) 6-31G(D) LANL2DZ 6-31+G(D) GEN | -1700.8788132; Eh | |||
 | 25-Feb-2021 | //m06l_molsimps Ru_oct_desorbed_2_ Ru_pbp_2_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 | -1785.1575521; Eh | |||
 | 25-Feb-2021 | //m06l_molsimps Ru_3a1_29//m06l_molsimps/Ru_3a1_29 OOH//m06l_molsimps/Ru_3a1_29/OOH LS Ru_3a1_29_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 | -1519.3719543; Eh | |||
 | 25-Feb-2021 | //m06l_molsimps Mn_3a1_28//m06l_molsimps/Mn_3a1_28 VAC//m06l_molsimps/Mn_3a1_28/VAC HS Mn_3a1_28_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 | -1532.1493054; Eh |
Results 121-130 of 569 (Search time: 0.002 seconds).
Discover
Subject
Program name
- 569 Gaussian