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| Preview | Issue Date | Title | Author(s) | Program | Calculation type | Method(s) | Basis Set | Energy | Solv. | Vibr. | Orb. |
|---|---|---|---|---|---|---|---|---|---|---|---|
 | 24-Jun-2020 | ori-E-P | Sangita, Kachhap | Gaussian; 16; ES64L-G16RevA.03 | Single point Structure | ONIOM; B3LYP; AMBER | DUMMY MIXED | 95.572316; Eh | |||
 | 24-Jun-2020 | ori-TS2 | Sangita, Kachhap | Gaussian; 16; ES64L-G16RevA.03 | Single point Structure | ONIOM; B3LYP; AMBER | DUMMY MIXED | 81.6335023; 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 | thb-Int | Sangita, Kachhap | Gaussian; 16; ES64L-G16RevA.03 | Single point Structure | ONIOM; B3LYP; AMBER | DUMMY MIXED | -171.8838156; Eh | |||
 | 24-Jun-2020 | ori-Int | Sangita, Kachhap | Gaussian; 16; ES64L-G16RevA.03 | Single point Structure | ONIOM; B3LYP; AMBER | DUMMY MIXED | 81.8990776; Eh |
Results 1-10 of 10 (Search time: 0.001 seconds).