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| Preview | Issue Date | Title | Author(s) | Program | Calculation type | Method(s) | Basis Set | Energy | Solv. | Vibr. | Orb. |
|---|---|---|---|---|---|---|---|---|---|---|---|
 | 8-Nov-2018 | /water/complexes aq-xerush4_newfix | Besora, Maria | Gaussian; 09; EM64L-G09RevD.01 | Single point Structure | RB3LYP | 6-31+g*; sdd | -1705.722661; Eh | |||
 | 8-Nov-2018 | /water/complexes aq-xegacl3_newfix | Besora, Maria | Gaussian; 09; EM64L-G09RevD.01 | Single point Structure | RB3LYP | 6-31+g*; sdd | -1398.3564139; Eh | |||
 | 8-Nov-2018 | /water/complexes aq-xehgi2_newfix | Besora, Maria | Gaussian; 09; EM64L-G09RevD.01 | Single point Structure | RB3LYP | sdd | -192.0369824; Eh | |||
 | 8-Nov-2018 | /water/complexes aq-xecrh2o5trip_newfix | Besora, Maria | Gaussian; 09; EM64L-G09RevD.01 | Single point Structure | UB3LYP | 6-31+g*; sdd | -484.4406056; Eh | |||
 | 8-Nov-2018 | /water/complexes aq-xefecl3-bai_newfix | Besora, Maria | Gaussian; 09; EM64L-G09RevD.01 | Single point Structure | UB3LYP | 6-31+g*; sdd | -1520.4180787; Eh | |||
 | 8-Nov-2018 | /water/complexes aq-xealcl3_newfix | Besora, Maria | Gaussian; 09; EM64L-G09RevD.01 | Single point Structure | RB3LYP | 6-31+g*; sdd | -1638.7770443; Eh | |||
 | 8-Nov-2018 | /water/complexes aq-smehgi2 | Besora, Maria | Gaussian; 09; EM64L-G09RevD.01 | Single point Structure | RB3LYP | 6-31+g*; sdd | -614.7846539; Eh | |||
 | 2-May-2019 | cat5_TS4antireB_sp | Besora, Maria | Gaussian; 09; EM64L-G09RevA.02 | Single point Structure | RB97D | - | -2715.9072865; Eh | |||
 | 2-May-2019 | cat5_TS4synsiB_sp | Besora, Maria | Gaussian; 09; EM64L-G09RevA.02 | Single point Structure | RB97D | - | -2715.8994053; Eh | |||
 | 2-May-2019 | cat9_TS4antireB_sp | Besora, Maria | Gaussian; 09; EM64L-G09RevA.02 | Single point Structure | RB97D | - | -2601.6665981; Eh |
Results 31-40 of 3159 (Search time: 0.001 seconds).