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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 iznch3 | Besora, Maria | Gaussian; 09; EM64L-G09RevD.01 | Single point TS | RB3LYP | 6-31+g*; sdd | -278.541919426; Eh | |||
 | 9-Nov-2018 | /vacuum/complexes ioso3 | Besora, Maria | Gaussian; 09; EM64L-G09RevD.01 | Single point TS | RB3LYP | 6-31+g*; sdd | -327.466124626; Eh | |||
 | 3-Oct-2019 | THF_sp2_ts_pdph3_c_trans2b | Besora, Maria | Gaussian; 09; EM64L-G09RevA.02 | Geometry optimization TS | RB3LYP | 6-31+G(D,P) SDD GEN | -3274.17719939; Eh | |||
 | 3-Oct-2019 | THF_sp2_ts_pdph3_c_trans | Besora, Maria | Gaussian; 09; EM64L-G09RevA.02 | Geometry optimization TS | RB3LYP | 6-31+G(D,P) SDD GEN | -3274.17719940; Eh | |||
 | 9-Nov-2018 | /vacuum/complexes irhh2o5 | Besora, Maria | Gaussian; 09; EM64L-G09RevD.01 | Single point Structure | RB3LYP | 6-31+g*; sdd | -503.599982167; Eh | |||
 | 9-Nov-2018 | /vacuum/complexes nchpdhph32 | Besora, Maria | Gaussian; 09; EM64L-G09RevD.01 | Single point Structure | RB3LYP | 6-31+g*; sdd | -908.087756267; Eh | |||
 | 9-Nov-2018 | /vacuum/complexes nchwco5 | Besora, Maria | Gaussian; 09; EM64L-G09RevD.01 | Single point Structure | RB3LYP | 6-31+g*; sdd | -727.358079950; Eh | |||
 | 9-Nov-2018 | /vacuum/complexes nchcro3 | Besora, Maria | Gaussian; 09; EM64L-G09RevD.01 | Single point Structure | RB3LYP | 6-31+g*; sdd | -406.135935207; Eh | |||
 | 9-Nov-2018 | /vacuum/complexes hZrCl5 | Besora, Maria | Gaussian; 09; EM64L-G09RevD.01 | Single point Structure | RB3LYP | 6-31+g*; sdd | -2349.03900677; Eh | |||
 | 9-Nov-2018 | /vacuum/complexes nchk | Besora, Maria | Gaussian; 09; EM64L-G09RevD.01 | Single point Structure | RB3LYP | 6-31+g*; sdd | -121.606338329; Eh |
Results 3921-3930 of 4310 (Search time: 0.047 seconds).