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| Preview | Issue Date | Title | Author(s) | Program | Calculation type | Method(s) | Basis Set | Energy | Solv. | Vibr. | Orb. |
|---|---|---|---|---|---|---|---|---|---|---|---|
 | 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 121-127 of 127 (Search time: 0.001 seconds).