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. |
---|---|---|---|---|---|---|---|---|---|---|---|
31-Mar-2021 | /P2BMe4 B_c_(M06) | Nelson, David | Gaussian; 16; ES64L-G16RevC.01 | Single point Structure | RM06 | 6-311+G(D,P) GENECP | -4810.9316178; Eh | ||||
31-Mar-2021 | /P2BMe4 L_o_(M06) | Nelson, David | Gaussian; 16; ES64L-G16RevC.01 | Single point Structure | RM06 | 6-311+G(D,P) GENECP | -1651.3001285; Eh | ||||
31-Mar-2021 | /P2BMe4 L_c_(M06) | Nelson, David | Gaussian; 16; ES64L-G16RevC.01 | Single point Structure | RM06 | 6-311+G(D,P) GENECP | -1651.3408511; Eh | ||||
18-Mar-2019 | Deprotonation_with_tertbutyl-methylphenol | Artus Suarez, Lluis | Gaussian; 09; ES64L-G09RevD.01 | Single point Structure | RM06 | 6-31+G** | -910.376263463; Eh | ||||
24-Jun-2019 | Mo-5-1atm | Artus Suarez, Lluis | Gaussian; 09; ES64L-G09RevD.01 | Single point Structure | RM06 | 6-31+G** GENECP | -1825.95569643; Eh | ||||
24-Jun-2019 | Mo-ts-6-7-alt1 | Artus Suarez, Lluis | Gaussian; 09; ES64L-G09RevD.01 | Single point Structure | RM06 | 6-31+G** GENECP | -2265.92826980; Eh | ||||
24-Jun-2019 | Mo-3-1atm | Artus Suarez, Lluis | Gaussian; 09; ES64L-G09RevD.01 | Single point Structure | RM06 | 6-31+G** GENECP | -1824.75926830; Eh | ||||
24-Jun-2019 | Proton_transfer | Artus Suarez, Lluis | Gaussian; 09; ES64L-G09RevD.01 | Single point Structure | RM06 | 6-31+G** GENECP | -1940.43500138; Eh | ||||
9-Feb-2021 | siw11pt-opt-1-freq | Lang, Zhongling | Gaussian; 09; ES64L-G09RevD.01 | Single point Structure | RM06 | 6-31G(D,P) LANL2DZ GEN | -4166.08376540; Eh | ||||
9-Feb-2021 | siw11pt-5H-4e-H2-S1-freq | Lang, Zhongling | Gaussian; 09; ES64L-G09RevD.01 | Single point Structure | RM06 | 6-31G(D,P) LANL2DZ GEN | -4168.97030752; Eh |
Results 31-40 of 151 (Search time: 0.002 seconds).
Discover
Subject
Program name
- 151 Gaussian