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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-2 | Jindani, Sana | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization Minimum | RmPW1PW91 | 6-31+G(D,P) | -781.250082203; Eh | |||
| 26-Jan-2024 | structure-5 | Jindani, Sana | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization Minimum | RmPW1PW91 | 6-31+G(D,P) | -781.293878782; Eh | |||
| 26-Jan-2024 | structure-1-Aplus-chloroform | Jindani, Sana | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization Minimum | RmPW1PW91 | 6-31+G(D,P) | -781.707414035; Eh | |||
| 26-Jan-2024 | structure-1-Bplus-chloroform | Jindani, Sana | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization Minimum | RmPW1PW91 | 6-31+G(D,P) | -781.692517475; 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-2-Aplus | Jindani, Sana | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization Minimum | RmPW1PW91 | 6-31+G(D,P) | -781.710466228; Eh | |||
| 26-Jan-2024 | structure-1-UD-toluene-cope-product | Jindani, Sana | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization Minimum | RmPW1PW91 | 6-31+G(D,P) | -781.237134898; Eh | |||
| 26-Jan-2024 | structure-1-DD-toluene-cope-product | Jindani, Sana | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization Minimum | RmPW1PW91 | 6-31+G(D,P) | -781.235842920; 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 |
Results 1-10 of 23 (Search time: 0.001 seconds).