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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 pf3tame4piram | Besora, Maria | Gaussian; 09; EM64L-G09RevD.01 | Single point Structure | RB3LYP | 6-31+g*; sdd | -857.368236423; Eh | |||
 | 9-Nov-2018 | /vacuum/complexes pme3nbnh24 | Besora, Maria | Gaussian; 09; EM64L-G09RevD.01 | Single point Structure | RB3LYP | 6-31+g*; sdd | -741.860200448; Eh | |||
 | 9-Nov-2018 | /vacuum/complexes scnZrCl5 | Besora, Maria | Gaussian; 09; EM64L-G09RevD.01 | Single point Structure | RB3LYP | 6-31+g*; sdd | -2839.56814877; Eh | |||
 | 9-Nov-2018 | /vacuum/complexes pme3auph3 | Besora, Maria | Gaussian; 09; EM64L-G09RevD.01 | Single point Structure | RB3LYP | 6-31+g*; sdd | -939.901984828; Eh | |||
 | 9-Nov-2018 | /vacuum/complexes pme3ticl3 | Besora, Maria | Gaussian; 09; EM64L-G09RevD.01 | Single point Structure | RB3LYP | 6-31+g*; sdd | -1900.02516327; Eh | |||
 | 9-Nov-2018 | /vacuum/complexes scnznch3 | Besora, Maria | Gaussian; 09; EM64L-G09RevD.01 | Single point Structure | RB3LYP | 6-31+g*; sdd | -758.124483262; Eh | |||
 | 9-Nov-2018 | /vacuum/complexes scnwco5 | Besora, Maria | Gaussian; 09; EM64L-G09RevD.01 | Single point Structure | RB3LYP | 6-31+g*; sdd | -1125.08040469; Eh | |||
 | 9-Nov-2018 | /vacuum/complexes pme3k | Besora, Maria | Gaussian; 09; EM64L-G09RevD.01 | Single point Structure | RB3LYP | 6-31+g*; sdd | -489.285143160; Eh | |||
 | 9-Nov-2018 | /vacuum/complexes pme3ircoph32 | Besora, Maria | Gaussian; 09; EM64L-G09RevD.01 | Single point Structure | RB3LYP | 6-31+g*; sdd | -1365.04962586; Eh | |||
 | 9-Nov-2018 | /vacuum/complexes pme3cunh33 | Besora, Maria | Gaussian; 09; EM64L-G09RevD.01 | Single point Structure | UB3LYP | 6-31+g*; sdd | -827.684601535; Eh |
Results 3771-3780 of 4310 (Search time: 0.005 seconds).