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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 nchconh35 | Besora, Maria | Gaussian; 09; EM64L-G09RevD.01 | Single point Structure | RB3LYP | 6-31+g*; sdd | -521.159817368; Eh | |||
 | 9-Nov-2018 | /vacuum/complexes nchticl3 | Besora, Maria | Gaussian; 09; EM64L-G09RevD.01 | Single point Structure | RB3LYP | 6-31+g*; sdd | -1532.30360088; Eh | |||
 | 9-Nov-2018 | /vacuum/complexes h2znch3 | Besora, Maria | Gaussian; 09; EM64L-G09RevD.01 | Single point Structure | RB3LYP | 6-31+g*; sdd | -267.939585366; Eh | |||
 | 9-Nov-2018 | /vacuum/complexes iwco5 | Besora, Maria | Gaussian; 09; EM64L-G09RevD.01 | Single point Structure | RB3LYP | 6-31+g*; sdd | -645.483688004; Eh | |||
 | 9-Nov-2018 | /vacuum/complexes nchoso3 | Besora, Maria | Gaussian; 09; EM64L-G09RevD.01 | Single point TS | RB3LYP | 6-31+g*; sdd | -408.914733619; Eh | |||
 | 9-Nov-2018 | /vacuum/complexes hmno3 | Besora, Maria | Gaussian; 09; EM64L-G09RevD.01 | Single point TS | RB3LYP | 6-31+g*; sdd | -330.536659515; Eh | |||
 | 3-Oct-2019 | THF_sp2_ts_pdph3_c_trans2 | Besora, Maria | Gaussian; 09; EM64L-G09RevA.02 | Geometry optimization TS | RB3LYP | 6-31+G(D,P) SDD GEN | -3274.19211695; Eh | |||
 | 3-Oct-2019 | THF_sp2_ts_pdph3_c_cis | Besora, Maria | Gaussian; 09; EM64L-G09RevA.02 | Geometry optimization TS | RB3LYP | 6-31+G(D,P) SDD GEN | -3274.17685038; Eh | |||
 | 9-Nov-2018 | /vacuum/complexes nchtame4piram | Besora, Maria | Gaussian; 09; EM64L-G09RevD.01 | Single point Structure | RB3LYP | 6-31+g*; sdd | -309.860693341; Eh | |||
 | 9-Nov-2018 | /vacuum/complexes htame4piram | Besora, Maria | Gaussian; 09; EM64L-G09RevD.01 | Single point Structure | RB3LYP | 6-31+g*; sdd | -217.241281719; Eh |
Results 3261-3270 of 3480 (Search time: 0.004 seconds).