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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-1-DD-toluene | Jindani, Sana | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization Minimum | RmPW1PW91 | 6-31+G(D,P) | -781.253940509; Eh | ||||
26-Jan-2024 | structure-7-chloroform | Jindani, Sana | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization Minimum | RmPW1PW91 | 6-31+G(D,P) | -781.292670808; Eh | ||||
26-Jan-2024 | structure-1-chloroform | Jindani, Sana | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization Minimum | RmPW1PW91 | 6-31+G(D,P) | -781.252682849; Eh |
Results 21-23 of 23 (Search time: 0.001 seconds).