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| Preview | Issue Date | Title | Author(s) | Program | Calculation type | Method(s) | Basis Set | Energy | Solv. | Vibr. | Orb. |
|---|---|---|---|---|---|---|---|---|---|---|---|
 | 25-Jun-2020 | o-Hemiacetal | Sangita, Kachhap | Gaussian; 16; ES64L-G16RevA.03 | Single point Structure | RB3LYP | DEF2TZVP | -1130.3729546; Eh | |||
 | 24-Jun-2020 | o-Enol-2 | Sangita, Kachhap | Gaussian; 16; ES64L-G16RevA.03 | Single point Structure | RB3LYP | DEF2TZVP | -1092.2692215; Eh | |||
 | 24-Jun-2020 | o-E-TS4 | Sangita, Kachhap | Gaussian; 16; ES64L-G16RevA.03 | Single point Structure | RB3LYP | DEF2TZVP | -1092.2443926; Eh | |||
 | 24-Jun-2020 | o-Enol-1 | Sangita, Kachhap | Gaussian; 16; ES64L-G16RevA.03 | Single point Structure | RB3LYP | DEF2TZVP | -1130.3623787; Eh | |||
 | 24-Jun-2020 | o-H-TS3 | Sangita, Kachhap | Gaussian; 16; ES64L-G16RevA.03 | Single point Structure | RB3LYP | DEF2TZVP | -1130.3343294; Eh | |||
 | 24-Jun-2020 | t-H-TS3 | Sangita, Kachhap | Gaussian; 16; ES64L-G16RevA.03 | Single point Structure | RB3LYP | DEF2TZVP | -1169.6416824; Eh | |||
 | 24-Jun-2020 | t-Hemiacetal | Sangita, Kachhap | Gaussian; 16; ES64L-G16RevA.03 | Single point Structure | RB3LYP | DEF2TZVP | -1169.6801743; Eh | |||
 | 24-Jun-2020 | t-E-TS4 | Sangita, Kachhap | Gaussian; 16; ES64L-G16RevA.03 | Single point Structure | RB3LYP | DEF2TZVP | -1131.5851117; Eh | |||
 | 24-Jun-2020 | t-Enol-2 | Sangita, Kachhap | Gaussian; 16; ES64L-G16RevA.03 | Single point Structure | RB3LYP | DEF2SVP | -1130.32673; Eh | |||
 | 24-Jun-2020 | Neomorphinone | Sangita, Kachhap | Gaussian; 16; ES64L-G16RevA.03 | Single point Structure | RB3LYP | DEF2TZVP | -1092.2951209; Eh |
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