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| Preview | Issue Date | Title | Author(s) | Program | Calculation type | Method(s) | Basis Set | Energy | Solv. | Vibr. | Orb. |
|---|---|---|---|---|---|---|---|---|---|---|---|
 | 9-Nov-2018 | /vacuum/complexes piridinak | Besora, Maria | Gaussian; 09; EM64L-G09RevD.01 | Single point TS | RB3LYP | 6-31+g*; sdd | -276.482122929; Eh | |||
 | 9-Nov-2018 | /vacuum/complexes piridinaalcl3 | Besora, Maria | Gaussian; 09; EM64L-G09RevD.01 | Single point TS | RB3LYP | 6-31+g* | -1871.59310753; Eh | |||
 | 9-Nov-2018 | /vacuum/complexes fenilno2rhh2o5 | Besora, Maria | Gaussian; 09; EM64L-G09RevD.01 | Single point TS | RB3LYP | 6-31+g*; sdd | -928.327915485; Eh | |||
 | 9-Nov-2018 | /vacuum/complexes fenilno2ptf5singlete | Besora, Maria | Gaussian; 09; EM64L-G09RevD.01 | Single point TS | RB3LYP | 6-31+g*; sdd | -1054.91096817; Eh | |||
 | 9-Nov-2018 | /vacuum/complexes fenilno2pdph3 | Besora, Maria | Gaussian; 09; EM64L-G09RevD.01 | Single point TS | RB3LYP | 6-31+g*; sdd | -907.329615116; Eh | |||
 | 9-Nov-2018 | /vacuum/complexes fenilno2k | Besora, Maria | Gaussian; 09; EM64L-G09RevD.01 | Single point TS | RB3LYP | 6-31+g*; sdd | -464.466271016; Eh | |||
 | 9-Nov-2018 | /vacuum/complexes fenilno2feco4axial | Besora, Maria | Gaussian; 09; EM64L-G09RevD.01 | Single point TS | RB3LYP | 6-31+g*; sdd | -1013.57403707; Eh | |||
 | 9-Nov-2018 | /vacuum/complexes fenilno2fecl2sextup | Besora, Maria | Gaussian; 09; EM64L-G09RevD.01 | Single point TS | UB3LYP | 6-31+g*; sdd | -1480.55960380; Eh | |||
 | 9-Nov-2018 | /vacuum/complexes fenilno2auph3 | Besora, Maria | Gaussian; 09; EM64L-G09RevD.01 | Single point TS | RB3LYP | 6-31+g*; sdd | -915.128528496; Eh | |||
 | 9-Nov-2018 | /vacuum/complexes fenilno2alcl3 | Besora, Maria | Gaussian; 09; EM64L-G09RevD.01 | Single point TS | RB3LYP | 6-31+g* | -2059.54050515; Eh |
Results 81-90 of 648 (Search time: 0.001 seconds).