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. |
|---|---|---|---|---|---|---|---|---|---|---|---|
 | 2-Mar-2019 | Monoterpenes-04-CBS-QB3 | Pahima, Efrat | Gaussian; 16; ES64L-G16RevA.03 | Geometry optimization Minimum | RB3LYP; RCCSD; RMP4SDQ-FC; RMP2-FC; CBS-QB3 | - | -389.7542558; Eh | |||
| 2-Mar-2019 | Monoterpenes-03-CBS-QB3 | Pahima, Efrat | Gaussian; 16; ES64L-G16RevA.03 | Geometry optimization Minimum | RB3LYP; RCCSD; RMP4SDQ-FC; RMP2-FC; CBS-QB3 | - | -389.766483; Eh | |||
| 2-Mar-2019 | Monoterpenes-02-CBS-QB3 | Pahima, Efrat | Gaussian; 16; ES64L-G16RevA.03 | Geometry optimization Minimum | RB3LYP; RCCSD; RMP4SDQ-FC; RMP2-FC; CBS-QB3 | - | -389.7653568; Eh | |||
| 2-Mar-2019 | Monoterpenes-01-CBS-QB3 | Pahima, Efrat | Gaussian; 16; ES64L-G16RevA.03 | Geometry optimization Minimum | RB3LYP; RCCSD; RMP4SDQ-FC; RMP2-FC; CBS-QB3 | - | -389.7678947; Eh | |||
 | 13-Jul-2023 | B6Cl5(H2O)_(-)_CCSD(T) | Kawa, Sebastian | Gaussian; 16; AS64L-G16RevC.01 | Single point Structure | RCCSD | DEF2TZVPP | -2524.0277504; Eh | |||
 | 13-Jul-2023 | B6Cl5_(-)_CCSD(T) | Kawa, Sebastian | Gaussian; 16; ES64L-G16RevC.01 | Single point Structure | RCCSD | DEF2TZVPP | -2447.6228216; Eh | |||
 | 13-Jul-2023 | B6Cl5N2_(-)_CCSD(T) | Kawa, Sebastian | Gaussian; 16; AS64L-G16RevC.01 | Single point Structure | RCCSD | DEF2TZVPP | -2557.069898; Eh |
Results 121-127 of 127 (Search time: 0.002 seconds).
Discover
Subject
Calculation type