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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 NiPMePh2-4 | Funes-Ardoiz, Ignacio | Gaussian; 09; EM64L-G09RevD.01 | Single point Structure | RB3LYP | 6-311+G(d,p) | -3548.50365790; Eh | |||
 | 26-Oct-2017 | /THF PMe3 | Funes-Ardoiz, Ignacio | Gaussian; 09; EM64L-G09RevD.01 | Single point Structure | RB3LYP | 6-311+G** | -461.173291179; Eh | |||
 | 26-Oct-2017 | /Other_Phosphines NiPMePh2-2 | Funes-Ardoiz, Ignacio | Gaussian; 09; EM64L-G09RevD.01 | Single point Structure | RB3LYP | 6-311+G(d,p) | -1858.88033969; Eh | |||
 | 26-Oct-2017 | /THF TS-8-9-Cl-PMe3 | Funes-Ardoiz, Ignacio | Gaussian; 09; EM64L-G09RevD.01 | Single point Structure | RB3LYP | 6-311+G** | -1783.69289962; Eh | |||
 | 26-Oct-2017 | /THF TS-9-3-I-PMe3 | Funes-Ardoiz, Ignacio | Gaussian; 09; EM64L-G09RevD.01 | Single point Structure | RB3LYP | 6-311+G** | -1334.89533628; Eh | |||
 | 26-Oct-2017 | /Toluene NiPMe3-2 | Funes-Ardoiz, Ignacio | Gaussian; 09; EM64L-G09RevD.01 | Single point Structure | RB3LYP | 6-311+G** | -1091.70878163; Eh | |||
 | 26-Oct-2017 | /THF 9-Cl-PMe3 | Funes-Ardoiz, Ignacio | Gaussian; 09; EM64L-G09RevD.01 | Single point Structure | RB3LYP | 6-311+G** | -1783.75121852; Eh | |||
 | 26-Oct-2017 | /Other_Phosphines PMe2Ph | Funes-Ardoiz, Ignacio | Gaussian; 09; EM64L-G09RevD.01 | Single point Structure | RB3LYP | - | -652.964031445; Eh | |||
 | 26-Oct-2017 | /Other_Phosphines 1-I-PPh3 | Funes-Ardoiz, Ignacio | Gaussian; 09; EM64L-G09RevD.01 | Single point Structure | RB3LYP | 6-311+G(d,p) | -3522.20848963; Eh | |||
 | 26-Oct-2017 | /N_hexane NiPMe3-4 | Funes-Ardoiz, Ignacio | Gaussian; 09; EM64L-G09RevD.01 | Single point Structure | RB3LYP | 6-311+G** | -2014.13698014; Eh |
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