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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 pcl3k | Besora, Maria | Gaussian; 09; EM64L-G09RevD.01 | Geometry optimization Minimum | RB3LYP | 6-31+g*; sdd | -1750.15031945; Eh | |||
 | 9-Nov-2018 | /vacuum/complexes tiofenohgi2_newfix2freq | Besora, Maria | Gaussian; 09; EM64L-G09RevD.01 | Geometry optimization Minimum | RB3LYP | 6-31+g*; sdd | -729.482704121; Eh | |||
 | 9-Nov-2018 | /vacuum/complexes xeZrCl5_newfix | Besora, Maria | Gaussian; 09; EM64L-G09RevD.01 | Geometry optimization Minimum | RB3LYP | 6-31+g*; sdd | -2364.03736071; Eh | |||
 | 9-Nov-2018 | /vacuum/complexes xenbnh24_newfix | Besora, Maria | Gaussian; 09; EM64L-G09RevD.01 | Geometry optimization Minimum | RB3LYP | 6-31+g*; sdd | -296.240554044; Eh | |||
 | 9-Nov-2018 | /vacuum/complexes oZrCl5_newfix | Besora, Maria | Gaussian; 09; EM64L-G09RevD.01 | Geometry optimization Minimum | RB3LYP | 6-31+g*; sdd | -2423.54781808; Eh | |||
 | 9-Nov-2018 | /vacuum/complexes tiofenofecl3-bai_newfix3freq | Besora, Maria | Gaussian; 09; EM64L-G09RevD.01 | Geometry optimization Minimum | UB3LYP | 6-31+g*; sdd | -2057.81825186; Eh | |||
 | 9-Nov-2018 | /vacuum/complexes xecrh2o5trip_newfix | Besora, Maria | Gaussian; 09; EM64L-G09RevD.01 | Geometry optimization Minimum | UB3LYP | 6-31+g*; sdd | -484.182284328; Eh | |||
 | 9-Nov-2018 | /vacuum/complexes orhh2o5_new2_fix2 | Besora, Maria | Gaussian; 09; EM64L-G09RevD.01 | Geometry optimization Minimum | RB3LYP | 6-31+g*; sdd | -567.694632686; Eh | |||
 | 9-Nov-2018 | /vacuum/complexes xehgi2_newfix | Besora, Maria | Gaussian; 09; EM64L-G09RevD.01 | Geometry optimization Minimum | RB3LYP | sdd | -191.993872548; Eh | |||
 | 9-Nov-2018 | /vacuum/complexes tiofenoyh2o5_newfix2freq | Besora, Maria | Gaussian; 09; EM64L-G09RevD.01 | Geometry optimization Minimum | RB3LYP | 6-31+g*; sdd | -972.659836838; Eh |
Results 1-10 of 45 (Search time: 0.001 seconds).