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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 omeznch3 | Besora, Maria | Gaussian; 09; EM64L-G09RevD.01 | Single point Structure | RB3LYP | 6-31+g*; sdd | -382.207119283; Eh | |||
 | 8-Nov-2018 | /water/complexes aq-sime3mno3 | Besora, Maria | Gaussian; 09; EM64L-G09RevD.01 | Single point Structure | RB3LYP | 6-31+g*; sdd | -739.2871377; Eh | |||
 | 9-Nov-2018 | /vacuum/complexes omewco5 | Besora, Maria | Gaussian; 09; EM64L-G09RevD.01 | Single point Structure | RB3LYP | 6-31+g*; sdd | -749.128024273; Eh | |||
 | 8-Nov-2018 | /water/complexes aq-sime3k | Besora, Maria | Gaussian; 09; EM64L-G09RevD.01 | Single point Structure | RB3LYP | 6-31+g*; sdd | -437.6092217; Eh | |||
 | 8-Nov-2018 | /water/complexes aq-sime3ircoph32 | Besora, Maria | Gaussian; 09; EM64L-G09RevD.01 | Single point Structure | RB3LYP | 6-31+g*; sdd | -1313.4027292; Eh | |||
 | 9-Nov-2018 | /vacuum/complexes ometicl3 | Besora, Maria | Gaussian; 09; EM64L-G09RevD.01 | Single point TS | RB3LYP | 6-31+g*; sdd | -1554.33053131; Eh | |||
 | 8-Nov-2018 | /water/complexes aq-sime3incl2 | Besora, Maria | Gaussian; 09; EM64L-G09RevD.01 | Single point Structure | RB3LYP | 6-31+g*; sdd | -1331.7038139; Eh | |||
 | 9-Nov-2018 | /vacuum/complexes ometame4piram | Besora, Maria | Gaussian; 09; EM64L-G09RevD.01 | Single point Structure | RB3LYP | 6-31+g*; sdd | -331.856190445; Eh | |||
 | 8-Nov-2018 | /water/complexes aq-sime3hgi2 | Besora, Maria | Gaussian; 09; EM64L-G09RevD.01 | Single point Structure | RB3LYP | 6-31+g*; sdd | -585.9516505; Eh | |||
 | 9-Nov-2018 | /vacuum/complexes omerush4 | Besora, Maria | Gaussian; 09; EM64L-G09RevD.01 | Single point Structure | RB3LYP | 6-31+g*; sdd | -1805.40421599; Eh |
Results 1-10 of 4310 (Search time: 0.002 seconds).