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. |
|---|---|---|---|---|---|---|---|---|---|---|---|
 | 28-Apr-2020 | pyridine | Garcia Melchor, Max | Gaussian; 09; EM64L-G09RevA.02 | Geometry optimization Minimum | RwB97XD | 6-31G(D) 6-31+G(D) 6-31G(D,P) GEN | -248.202446809; Eh | |||
 | 28-Apr-2020 | NH3-BH3 | Garcia Melchor, Max | Gaussian; 09; AM64L-G09RevA.02 | Geometry optimization Minimum | RwB97XD | 6-31+G(D) 6-31G(D,P) 6-31G(D) GEN | -83.1961458290; Eh | |||
 | 28-Apr-2020 | H2 | Garcia Melchor, Max | Gaussian; 09; EM64L-G09RevA.02 | Geometry optimization Minimum | RwB97XD | 6-31G(D,P) GEN | -1.17505517307; Eh | |||
 | 28-Apr-2020 | NH2-BH2 | Garcia Melchor, Max | Gaussian; 09; ES64L-G09RevE.01 | Geometry optimization Minimum | RwB97XD | 6-31G(D) 6-31+G(D) 6-31G(D,P) GEN | -82.0200691210; Eh |
Results 211-214 of 214 (Search time: 0.001 seconds).
Discover
Subject
Program name
- 214 Gaussian