Search
Add filters:
Use filters to refine the search results.
Item hits:
Preview | Issue Date | Title | Author(s) | Program | Calculation type | Method(s) | Basis Set | Energy | Solv. | Vibr. | Orb. |
---|---|---|---|---|---|---|---|---|---|---|---|
3-Oct-2019 | dmf_set_Brpdpf3trans | Besora, Maria | Gaussian; 09; EM64L-G09RevD.01 | Geometry optimization Minimum | UB3LYP | 6-31+G(D,P) SDD GEN | -3340.38207417; Eh | ||||
3-Oct-2019 | gas_set_pdpf32 | Besora, Maria | Gaussian; 09; EM64L-G09RevD.01 | Geometry optimization Minimum | UB3LYP | 6-31+G(D,P) SDD GEN | -1409.62482632; Eh | ||||
3-Oct-2019 | gas_set_PhBr | Besora, Maria | Gaussian; 09; EM64L-G09RevD.01 | Geometry optimization Minimum | UB3LYP | 6-31+G(D,P) GEN | -2803.08064130; Eh | ||||
3-Oct-2019 | gas_set_Ph | Besora, Maria | Gaussian; 09; EM64L-G09RevD.01 | Geometry optimization Minimum | UB3LYP | 6-31+G(D,P) GEN | -231.575014246; 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 | dmf_set_Brpdpph3trans | Besora, Maria | Gaussian; 09; EM64L-G09RevD.01 | Geometry optimization Minimum | UB3LYP | 6-31+G(D,P) SDD GEN | -3735.77090041; 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 | ||||
3-Oct-2019 | thf_set_Brpdpme3trans | Besora, Maria | Gaussian; 09; EM64L-G09RevD.01 | Geometry optimization Minimum | UB3LYP | 6-31+G(D,P) SDD GEN | -3160.54796246; Eh | ||||
3-Oct-2019 | gas_set_Brpdpph32 | Besora, Maria | Gaussian; 09; EM64L-G09RevD.01 | Geometry optimization Minimum | UB3LYP | 6-31+G(D,P) SDD GEN | -4772.10710056; Eh | ||||
3-Oct-2019 | dmf_set_Brpdpme32trans | Besora, Maria | Gaussian; 09; EM64L-G09RevD.01 | Geometry optimization Minimum | UB3LYP | 6-31+G(D,P) SDD GEN | -3621.69520566; Eh |
Results 31-40 of 60 (Search time: 0.002 seconds).