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| Preview | Issue Date | Title | Author(s) | Program | Calculation type | Method(s) | Basis Set | Energy | Solv. | Vibr. | Orb. |
|---|---|---|---|---|---|---|---|---|---|---|---|
 | 3-Oct-2019 | wat_set_Brpdpf3cis | Besora, Maria | Gaussian; 09; EM64L-G09RevD.01 | Geometry optimization Minimum | UB3LYP | 6-31+G(D,P) SDD GEN | -3340.39551958; Eh | |||
 | 3-Oct-2019 | wat_set_Brpdpf3trans | Besora, Maria | Gaussian; 09; EM64L-G09RevD.01 | Geometry optimization Minimum | UB3LYP | 6-31+G(D,P) SDD GEN | -3340.39518749; Eh | |||
 | 3-Oct-2019 | wat_set_Brpdpf32 | Besora, Maria | Gaussian; 09; EM64L-G09RevD.01 | Geometry optimization Minimum | UB3LYP | 6-31+G(D,P) SDD GEN | -3981.39977991; Eh | |||
 | 3-Oct-2019 | wat_set_Ph | Besora, Maria | Gaussian; 09; EM64L-G09RevD.01 | Geometry optimization Minimum | UB3LYP | 6-31+G(D,P) GEN | -231.577879224; Eh | |||
 | 3-Oct-2019 | wat_set_Me | Besora, Maria | Gaussian; 09; EM64L-G09RevD.01 | Geometry optimization Minimum | UB3LYP | 6-31+G(D,P) GEN | -39.8471784708; Eh | |||
 | 3-Oct-2019 | wat_set_Brpdpph3cis | Besora, Maria | Gaussian; 09; EM64L-G09RevD.01 | Geometry optimization Minimum | UB3LYP | 6-31+G(D,P) SDD GEN | -3735.76392258; Eh | |||
 | 3-Oct-2019 | thf_set_Brpdpph3trans | Besora, Maria | Gaussian; 09; EM64L-G09RevD.01 | Geometry optimization Minimum | UB3LYP | 6-31+G(D,P) SDD GEN | -3735.76576850; Eh | |||
 | 3-Oct-2019 | gas_set_Brpdpph3trans | Besora, Maria | Gaussian; 09; EM64L-G09RevD.01 | Geometry optimization Minimum | UB3LYP | 6-31+G(D,P) SDD GEN | -3735.74190233; Eh | |||
 | 3-Oct-2019 | thf_set_Brpdpph32 | Besora, Maria | Gaussian; 09; EM64L-G09RevD.01 | Geometry optimization Minimum | UB3LYP | 6-31+G(D,P) SDD GEN | -4772.12616437; Eh | |||
 | 3-Oct-2019 | dmf_set_Brpdpph32 | Besora, Maria | Gaussian; 09; EM64L-G09RevD.01 | Geometry optimization Minimum | UB3LYP | 6-31+G(D,P) SDD GEN | -4772.13182397; Eh |
Results 31-40 of 60 (Search time: 0.0 seconds).