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| Preview | Issue Date | Title | Author(s) | Program | Calculation type | Method(s) | Basis Set | Energy | Solv. | Vibr. | Orb. |
|---|---|---|---|---|---|---|---|---|---|---|---|
 | 24-Oct-2022 | Biphenyl | DeSnoo, William | Gaussian; 16; ES64L-G16RevA.03 | Single point Structure | RB3LYP | DEF2SVP | -462.971914; Eh | |||
 | 24-Oct-2022 | Allene | DeSnoo, William | Gaussian; 16; ES64L-G16RevA.03 | Single point Structure | RB3LYP | DEF2SVP | -116.5677179; Eh | |||
 | 28-Oct-2022 | C2_HOOH | DeSnoo, William | Gaussian; 16; ES64L-G16RevA.03 | Single point Structure | RB3LYP | DEF2SVP | -151.4121117; Eh | |||
 | 28-Oct-2022 | C2h_trans_ethylene_dibromide | DeSnoo, William | Gaussian; 16; ES64L-G16RevA.03 | Single point Structure | RB3LYP | DEF2SVP | -5225.0653527; Eh | |||
 | 28-Oct-2022 | C2v_h2o | DeSnoo, William | Gaussian; 16; ES64L-G16RevA.03 | Single point Structure | RB3LYP | DEF2SVP | -76.3573455; Eh | |||
 | 28-Oct-2022 | D2h_Biphenyl | DeSnoo, William | Gaussian; 16; ES64L-G16RevA.03 | Single point Structure | RB3LYP | DEF2SVP | -462.9713884; Eh | |||
 | 28-Oct-2022 | D2_biphenyl | DeSnoo, William | Gaussian; 16; ES64L-G16RevA.03 | Single point Structure | RB3LYP | DEF2SVP | -462.9748832; Eh | |||
 | 24-Oct-2022 | Spiropentane | DeSnoo, William | Gaussian; 16; ES64L-G16RevA.03 | Single point Structure | RB3LYP | DEF2SVP | -195.1318289; Eh | |||
 | 5-Jul-2023 | TS_BDconf | DeSnoo, William | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization TS | RB3LYP | DEF2SVP | -7963.59318783; Eh | |||
 | 5-Jul-2023 | TS_BHconf | DeSnoo, William | Gaussian; 16; ES64L-G16RevC.01 | Single point Structure | RB3LYP | DEF2SVP | -7963.58597844; Eh |
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