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. |
|---|---|---|---|---|---|---|---|---|---|---|---|
 | 23-Apr-2026 | 22-Bis-C-I2-Br3 | Sciortino, Giuseppe | Gaussian; 16; ES64L-G16RevC.02 | Geometry optimization Minimum | B3LYP | SDD 6-31G(D,P) GEN | -48710.7888538; Eh | |||
 | 23-Apr-2026 | 25-Bis-C-I1-Br3-b | Sciortino, Giuseppe | Gaussian; 16; ES64L-G16RevC.02 | Single point Structure | B3LYP | SDD 6-31G(D,P) GEN | -48578.0160323; Eh | |||
 | 23-Apr-2026 | 29-Bis-C-I3-Br3-b | Sciortino, Giuseppe | Gaussian; 16; ES64L-G16RevC.02 | Single point Structure | B3LYP | SDD 6-31G(D,P) GEN | -48577.9939415; Eh | |||
 | 23-Apr-2026 | 24-Bis-C-I3-Br3 | Sciortino, Giuseppe | Gaussian; 16; ES64L-G16RevC.02 | Single point Structure | B3LYP | SDD 6-31G(D,P) GEN | -48710.7963267; Eh | |||
 | 23-Apr-2026 | 39-IPr-TS_4-5 | Sciortino, Giuseppe | Gaussian; 16; ES64L-G16RevC.02 | Geometry optimization TS | B3LYP | SDD 6-31G(D,P) GEN | -13087.6902204; Eh | |||
 | 23-Apr-2026 | 34-IPr-TS_1-2 | Sciortino, Giuseppe | Gaussian; 16; ES64L-G16RevC.02 | Geometry optimization TS | B3LYP | SDD 6-31G(D,P) GEN | -11927.4447790; Eh | |||
 | 23-Apr-2026 | 37-IPr-TS_3-4 | Sciortino, Giuseppe | Gaussian; 16; ES64L-G16RevC.02 | Single point Structure | B3LYP | SDD 6-31G(D,P) GEN | -13087.6925562; Eh | |||
 | 23-Apr-2026 | 38-IPr-I4 | Sciortino, Giuseppe | Gaussian; 16; ES64L-G16RevC.02 | Geometry optimization Minimum | B3LYP | SDD 6-31G(D,P) GEN | -13087.6911111; Eh | |||
 | 23-Apr-2026 | 33-IPr-I1 | Sciortino, Giuseppe | Gaussian; 16; ES64L-G16RevC.02 | Geometry optimization Minimum | B3LYP | SDD 6-31G(D,P) GEN | -11927.4516703; Eh | |||
 | 23-Apr-2026 | 36-IPr-I3 | Sciortino, Giuseppe | Gaussian; 16; ES64L-G16RevC.02 | Single point Structure | B3LYP | SDD 6-31G(D,P) GEN | -13087.6895182; Eh |
Results 2321-2330 of 2385 (Search time: 0.002 seconds).
Discover
Subject