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| Preview | Issue Date | Title | Author(s) | Program | Calculation type | Method(s) | Basis Set | Energy | Solv. | Vibr. | Orb. |
|---|---|---|---|---|---|---|---|---|---|---|---|
 | 26-Jan-2024 | structure-enol-12 | Jindani, Sana | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization Minimum | RmPW1PW91 | 6-31+G(D,P) | -856.454969125; Eh | |||
| 26-Jan-2024 | structure-keto-12 | Jindani, Sana | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization Minimum | RmPW1PW91 | 6-31+G(D,P) | -856.470627224; Eh | |||
| 26-Jan-2024 | structure-11 | Jindani, Sana | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization Minimum | RmPW1PW91 | 6-31+G(D,P) | -856.450451798; Eh | |||
| 26-Jan-2024 | structure-10B-chloroform | Jindani, Sana | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization Minimum | RmPW1PW91 | 6-31+G(D,P) | -781.252980872; Eh | |||
| 26-Jan-2024 | structure-10A-chloroform | Jindani, Sana | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization Minimum | RmPW1PW91 | 6-31+G(D,P) | -781.253453489; Eh | |||
| 26-Jan-2024 | structure-10B-toluene | Jindani, Sana | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization Minimum | RmPW1PW91 | 6-31+G(D,P) | -781.250377771; Eh | |||
| 26-Jan-2024 | structure-10dash | Jindani, Sana | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization Minimum | RmPW1PW91 | 6-31+G(D,P) | -781.242160354; Eh | |||
| 26-Jan-2024 | structure-2C | Jindani, Sana | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization Minimum | RmPW1PW91 | 6-31+G(D,P) | -781.247894441; Eh | |||
| 26-Jan-2024 | structure-9 | Jindani, Sana | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization Minimum | RmPW1PW91 | 6-31+G(D,P) | -856.458884132; Eh | |||
| 26-Jan-2024 | structure-6 | Jindani, Sana | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization Minimum | RmPW1PW91 | 6-31+G(D,P) | -781.286262497; Eh |
Results 1-10 of 23 (Search time: 0.001 seconds).