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| Preview | Issue Date | Title | Author(s) | Program | Calculation type | Method(s) | Basis Set | Energy | Solv. | Vibr. | Orb. |
|---|---|---|---|---|---|---|---|---|---|---|---|
 | 24-Jun-2020 | t-Enol-2 | Sangita, Kachhap | Gaussian; 16; ES64L-G16RevA.03 | Single point Structure | RB3LYP | DEF2SVP | -1130.32673; Eh | |||
 | 24-Jun-2020 | thb-TS1 | Sangita, Kachhap | Gaussian; 16; ES64L-G16RevA.03 | Single point Structure | ONIOM; B3LYP; AMBER | DUMMY MIXED | -235.8994119; Eh | |||
 | 24-Jun-2020 | thb-E-S | Sangita, Kachhap | Gaussian; 16; ES64L-G16RevA.03 | Single point Structure | ONIOM; B3LYP; AMBER | DUMMY MIXED | -250.1753418; Eh | |||
 | 24-Jun-2020 | ori-E-S | Sangita, Kachhap | Gaussian; 16; ES64L-G16RevA.03 | Single point Structure | ONIOM; B3LYP; AMBER | DUMMY MIXED | 0.419501; Eh | |||
 | 24-Jun-2020 | ori-TS1 | Sangita, Kachhap | Gaussian; 16; ES64L-G16RevA.03 | Single point Structure | ONIOM; B3LYP; AMBER | DUMMY MIXED | 5.5361815; Eh | |||
 | 24-Jun-2020 | thb-E-P | Sangita, Kachhap | Gaussian; 16; ES64L-G16RevA.03 | Single point Structure | ONIOM; B3LYP; AMBER | DUMMY MIXED | -173.7680735; Eh | |||
 | 24-Jun-2020 | thb-TS2 | Sangita, Kachhap | Gaussian; 16; ES64L-G16RevA.03 | Single point Structure | ONIOM; B3LYP; AMBER | DUMMY MIXED | -169.9922265; Eh | |||
 | 24-Jun-2020 | Neomorphinone | Sangita, Kachhap | Gaussian; 16; ES64L-G16RevA.03 | Single point Structure | RB3LYP | DEF2TZVP | -1092.2951209; Eh | |||
 | 24-Jun-2020 | Neopinone | Sangita, Kachhap | Gaussian; 16; ES64L-G16RevA.03 | Single point Structure | RB3LYP | DEF2TZVP | -1169.6772056; Eh | |||
 | 24-Jun-2020 | thb-Int | Sangita, Kachhap | Gaussian; 16; ES64L-G16RevA.03 | Single point Structure | ONIOM; B3LYP; AMBER | DUMMY MIXED | -171.8838156; Eh |
Results 11-20 of 22 (Search time: 0.001 seconds).