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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 pf3cunh33 | Besora, Maria | Gaussian; 09; EM64L-G09RevD.01 | Single point Structure | UB3LYP | 6-31+g*; sdd | -1007.47755786; Eh | |||
 | 9-Nov-2018 | /vacuum/complexes ncsfecl2sextup | Besora, Maria | Gaussian; 09; EM64L-G09RevD.01 | Single point Structure | UB3LYP | 6-31+g*; sdd | -1535.48034559; Eh | |||
 | 9-Nov-2018 | /vacuum/complexes nchcunh33 | Besora, Maria | Gaussian; 09; EM64L-G09RevD.01 | Single point Structure | UB3LYP | 6-31+g*; sdd | -459.964873029; Eh | |||
 | 9-Nov-2018 | /vacuum/complexes ch3-fecl2sextup | Besora, Maria | Gaussian; 09; EM64L-G09RevD.01 | Single point Structure | UB3LYP | 6-31+g*; sdd | -1084.30391053; Eh | |||
 | 9-Nov-2018 | /vacuum/metal_frag crh2o5b3lyp | Besora, Maria | Gaussian; 09; EM64L-G09RevD.01 | Single point Structure | UB3LYP | 6-31+g*; sdd | -468.620351614; Eh | |||
 | 9-Nov-2018 | /vacuum/metal_frag cunh33b3lyp | Besora, Maria | Gaussian; 09; EM64L-G09RevD.01 | Single point Structure | UB3LYP | 6-31+g*; sdd | -366.471193091; Eh | |||
 | 3-Oct-2019 | thf_onemetBb | Besora, Maria | Gaussian; 09; EM64L-G09RevD.01 | Single point Structure | UB3LYP | 6-31+G(D,P) SDD GEN | -3200.3852131; Eh | |||
 | 3-Oct-2019 | dmf_dosmet240b | Besora, Maria | Gaussian; 09; EM64L-G09RevD.01 | Single point Structure | UB3LYP | 6-31+G(D,P) SDD GEN | -3661.5065429; Eh | |||
 | 3-Oct-2019 | thf_dosmet240ph3freq | Besora, Maria | Gaussian; 09; EM64L-G09RevD.01 | Single point Structure | UB3LYP | 6-31+G(D,P) SDD GEN | -3425.5631103; Eh | |||
 | 3-Oct-2019 | gas_dosmet240 | Besora, Maria | Gaussian; 09; EM64L-G09RevD.01 | Single point Structure | UB3LYP | 6-31+G(D,P) SDD GEN | -3661.4914595; Eh |
Results 351-360 of 371 (Search time: 0.001 seconds).