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| Preview | Issue Date | Title | Author(s) | Program | Calculation type | Method(s) | Basis Set | Energy | Solv. | Vibr. | Orb. |
|---|---|---|---|---|---|---|---|---|---|---|---|
 | 21-Mar-2018 | /1_Conformers/Gas E-AC3 | Alcami Pertejo, Manuel | Gaussian; 09; EM64L-G09RevE.01 | Single point Structure | RB3LYP | - | - | |||
 | 21-Mar-2018 | /1_Conformers/Gas E-AC3-F | Alcami Pertejo, Manuel | Gaussian; 09 | Single point Structure | RB3LYP | - | - | |||
 | 21-Mar-2018 | /1_Conformers/Gas E-AC3_Conf1 | Alcami Pertejo, Manuel | Gaussian; 09; EM64L-G09RevE.01 | Single point Structure | RB3LYP | - | - | |||
 | 21-Mar-2018 | /1_Conformers/Gas E-AC3_Conf1-F | Alcami Pertejo, Manuel | Gaussian; 09 | Single point Structure | RB3LYP | - | - | |||
 | 21-Mar-2018 | /1_Conformers/Gas E-AC3_Conf2 | Alcami Pertejo, Manuel | Gaussian; 09; EM64L-G09RevE.01 | Single point Structure | RB3LYP | - | - | |||
 | 21-Mar-2018 | /1_Conformers/Gas E-AC3_Conf2-F | Alcami Pertejo, Manuel | Gaussian; 09 | Single point Structure | RB3LYP | - | - | |||
 | 21-Mar-2018 | /1_Conformers/Gas E-AC3_Conf3 | Alcami Pertejo, Manuel | Gaussian; 09; EM64L-G09RevE.01 | Single point Structure | RB3LYP | - | - | |||
 | 21-Mar-2018 | /1_Conformers/Gas E-AC3_Conf3-F | Alcami Pertejo, Manuel | Gaussian; 09 | Single point Structure | RB3LYP | - | - | |||
 | 21-Mar-2018 | /1_Conformers/Gas E-AO2a | Alcami Pertejo, Manuel | Gaussian; 09; EM64L-G09RevE.01 | Single point Structure | RB3LYP | - | - | |||
 | 21-Mar-2018 | /1_Conformers/Gas E-AO2a-F | Alcami Pertejo, Manuel | Gaussian; 09 | Single point Structure | RB3LYP | - | - | |||
 | 21-Mar-2018 | /1_Conformers/Gas E-AO2a_Conf1 | Alcami Pertejo, Manuel | Gaussian; 09; EM64L-G09RevE.01 | Single point Structure | RB3LYP | - | - | |||
 | 21-Mar-2018 | /1_Conformers/Gas E-AO2a_Conf1-F | Alcami Pertejo, Manuel | Gaussian; 09 | Single point Structure | RB3LYP | - | - | |||
 | 21-Mar-2018 | /1_Conformers/Gas E-AO2b | Alcami Pertejo, Manuel | Gaussian; 09; EM64L-G09RevE.01 | Single point Structure | RB3LYP | - | - | |||
 | 21-Mar-2018 | /1_Conformers/Gas E-AO2b-F | Alcami Pertejo, Manuel | Gaussian; 09 | Single point Structure | RB3LYP | - | - | |||
 | 21-Mar-2018 | /1_Conformers/Gas E-AO2b_Conf1 | Alcami Pertejo, Manuel | Gaussian; 09; EM64L-G09RevE.01 | Single point Structure | RB3LYP | - | - | |||
 | 21-Mar-2018 | /1_Conformers/Gas E-AO2b_Conf1-F | Alcami Pertejo, Manuel | Gaussian; 09 | Single point Structure | RB3LYP | - | - | |||
 | 21-Mar-2018 | /1_Conformers/Gas E-AO2c | Alcami Pertejo, Manuel | Gaussian; 09; EM64L-G09RevE.01 | Single point Structure | RB3LYP | - | - | |||
 | 21-Mar-2018 | /1_Conformers/Gas E-AO2c-F | Alcami Pertejo, Manuel | Gaussian; 09 | Single point Structure | RB3LYP | - | - | |||
 | 21-Mar-2018 | /1_Conformers/Gas E-AO4 | Alcami Pertejo, Manuel | Gaussian; 09; EM64L-G09RevE.01 | Single point Structure | RB3LYP | - | - | |||
 | 21-Mar-2018 | /1_Conformers/Gas E-AO4-F | Alcami Pertejo, Manuel | Gaussian; 09 | Single point Structure | RB3LYP | - | - |