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. |
|---|---|---|---|---|---|---|---|---|---|---|---|
 | 20-Jul-2022 | /fDavies_Ph fDavies_Ph_TT_TS1 | Guo, Wentao | Gaussian; 16; ES64L-G16RevA.03 | Single point Minimum | RB3LYP | GENECP | -14577.8622587; Eh | |||
 | 20-Jul-2022 | /fDavies_Ph fDavies_Ph_TA_TS1 | Guo, Wentao | Gaussian; 16; ES64L-G16RevA.03 | Single point Minimum | RB3LYP | GENECP | -14577.8430934; Eh | |||
 | 9-Feb-2023 | /Hammett R_Me | Guo, Wentao | Gaussian; 16; ES64L-G16RevC.01 | Single point Minimum | RM062X | 6-31G(D,P) | -1944.66172620; Eh | |||
 | 2-Mar-2023 | Cl- | Guo, Wentao | Gaussian; 16; ES64L-G16RevC.01 | Single point Minimum | RPBE1PBE | DEF2SVPP | -460.037593670; Eh | |||
 | 9-Jan-2024 | /model_system TS9_H-trans | Guo, Wentao | Gaussian; 16; ES64L-G16RevC.01 | Single point Minimum | RB3LYP | GENECP | -1553.81347787; Eh |
Results 11-15 of 15 (Search time: 0.001 seconds).
Discover
Subject