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. |
|---|---|---|---|---|---|---|---|---|---|---|---|
 | 15-Jul-2022 | /Theozyme Theozyme_TS-7 | Soysal, Esra Nur | Gaussian; 09; EM64L-G09RevB.01 | Geometry optimization TS | RmPW1PW91 | 6-31+G(D,P) | -1496.77931112; Eh | |||
 | 15-Jul-2022 | /Theozyme Theozyme_TS-1 | Soysal, Esra Nur | Gaussian; 16; ES64L-G16RevB.01 | Geometry optimization TS | RmPW1PW91 | 6-31+G(D,P) | -1340.98964424; Eh | |||
 | 15-Jul-2022 | /Theozyme Theozyme_TS-4 | Soysal, Esra Nur | Gaussian; 09; AM64L-G09RevD.01 | Geometry optimization TS | RmPW1PW91 | 6-31+G(D,P) | -1340.98989396; Eh | |||
 | 15-Jul-2022 | /Theozyme Theozyme_TS-2 | Soysal, Esra Nur | Gaussian; 16; ES64L-G16RevB.01 | Geometry optimization TS | RmPW1PW91 | 6-31+G(D,P) | -1340.98987110; Eh | |||
 | 15-Jul-2022 | /Theozyme Theozyme_TS-8 | Soysal, Esra Nur | Gaussian; 09; EM64L-G09RevB.01 | Geometry optimization TS | RmPW1PW91 | 6-31+G(D,P) | - |
Results 31-35 of 35 (Search time: 0.001 seconds).