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. |
|---|---|---|---|---|---|---|---|---|---|---|---|
 | 9-Jun-2025 | /MACMOM/test provafinal | López-Coll, Ricard | Gaussian; 16; ES64L-G16RevA.03 | Geometry optimization Minimum | UB3LYP | 6-311G(D,P) | -1066.42104525; Eh | |||
 | 9-Jun-2025 | OH | López-Coll, Ricard | Gaussian; 16; ES64L-G16RevA.03 | Single point Structure | - | VSTO-6G | -1.21439394424; Eh | |||
 | 9-Jun-2025 | vii5_Ger_Br | López-Coll, Ricard | Gaussian; 16; ES64L-G16RevA.03 | Single point Structure | - | VSTO-6G | -1.13537413728; Eh | |||
 | 9-Jun-2025 | vii5_Ger_Cl | López-Coll, Ricard | Gaussian; 16; ES64L-G16RevA.03 | Single point Structure | - | VSTO-6G | -1.17187307931; Eh | |||
 | 9-Jun-2025 | vii5_Ger_OSO3Bu4N | López-Coll, Ricard | Gaussian; 16; ES64L-G16RevA.03 | Single point Structure | - | VSTO-6G | -1.75925728068; Eh | |||
 | 9-Jun-2025 | vii5_Ger_OCO2Me | López-Coll, Ricard | Gaussian; 16; ES64L-G16RevA.03 | Single point Structure | - | VSTO-6G | -447.594750521; Eh | |||
 | 9-Jun-2025 | vii5_Ner_Br | López-Coll, Ricard | Gaussian; 16; ES64L-G16RevA.03 | Single point Structure | - | VSTO-6G | -1.30673440393; Eh | |||
 | 9-Jun-2025 | vii5_Ner_Cl | López-Coll, Ricard | Gaussian; 16; ES64L-G16RevA.03 | Single point Structure | - | VSTO-6G | -1.33520169693; Eh | |||
 | 9-Jun-2025 | vii5_Ger_OMs | López-Coll, Ricard | Gaussian; 16; ES64L-G16RevA.03 | Single point Structure | - | VSTO-6G | -1.53798318825; Eh | |||
 | 9-Jun-2025 | vii5_Ger_OCHO | López-Coll, Ricard | Gaussian; 16; ES64L-G16RevA.03 | Single point Structure | - | VSTO-6G | -1.28318727683; Eh |
Results 1-10 of 227 (Search time: 0.0 seconds).
Discover
Subject
Method
- 1 UB3LYP