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. |
---|---|---|---|---|---|---|---|---|---|---|---|
26-Oct-2017 | /Toluene NiPMe3-4 | Funes-Ardoiz, Ignacio | Gaussian; 09; EM64L-G09RevD.01 | Single point Structure | RB3LYP | 6-311+G** | -2014.13708291; Eh | ||||
26-Oct-2017 | /Toluene PhI | Funes-Ardoiz, Ignacio | Gaussian; 09; EM64L-G09RevD.01 | Single point Structure | RB3LYP | 6-311+G** | -243.107411301; Eh | ||||
26-Oct-2017 | /Other_Phosphines TS-1-2-I-PMePh2 | Funes-Ardoiz, Ignacio | Gaussian; 09; EM64L-G09RevD.01 | Single point Structure | RB3LYP | 6-311+G(d,p) | -2946.81030933; Eh | ||||
26-Oct-2017 | /Other_Phosphines 2-I-PMePh2 | Funes-Ardoiz, Ignacio | Gaussian; 09; EM64L-G09RevD.01 | Single point Structure | RB3LYP | 6-311+G(d,p) | -2946.88279278; Eh | ||||
26-Oct-2017 | /Other_Phosphines NiPPh3-4 | Funes-Ardoiz, Ignacio | Gaussian; 09; EM64L-G09RevD.01 | Single point Structure | RB3LYP | 6-311+G(d,p) | -4315.67341777; Eh | ||||
26-Oct-2017 | /Toluene TS-1-2-I-PMe3 | Funes-Ardoiz, Ignacio | Gaussian; 09; EM64L-G09RevD.01 | Single point Structure | RB3LYP | 6-311+G** | -1796.04472876; Eh | ||||
26-Oct-2017 | /Toluene 4-I-PMe3 | Funes-Ardoiz, Ignacio | Gaussian; 09; EM64L-G09RevD.01 | Single point Structure | RB3LYP | 6-311+G** | -1796.05331975; Eh | ||||
26-Oct-2017 | /Toluene Toluene | Funes-Ardoiz, Ignacio | Gaussian; 09; EM64L-G09RevD.01 | Single point Structure | RB3LYP | 6-311+G** | -271.655265649; Eh | ||||
26-Oct-2017 | /Other_Phosphines PMePh2 | Funes-Ardoiz, Ignacio | Gaussian; 09; EM64L-G09RevD.01 | Single point Structure | RB3LYP | - | -844.755968904; Eh |
Results 71-79 of 79 (Search time: 0.001 seconds).
Discover
Program name
- 79 Gaussian
Calculation type