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| Preview | Issue Date | Title | Author(s) | Program | Calculation type | Method(s) | Basis Set | Energy | Solv. | Vibr. | Orb. |
|---|---|---|---|---|---|---|---|---|---|---|---|
 | 1-Dec-2017 | /NMR_IR/NMR/B3LYP/OH/IC/Rot_4 1 | González Fabra, Joan | Gaussian; 09; EM64L-G09RevD.01 | Single point Structure | RB3LYP | - | -1839.00992640; Eh | |||
 | 1-Dec-2017 | /NMR_IR/NMR/B3LYP/OH/IC/Rot_3 0 | González Fabra, Joan | Gaussian; 09; EM64L-G09RevD.01 | Single point Structure | RB3LYP | - | -1839.01248042; Eh | |||
 | 1-Dec-2017 | /NMR_IR/NMR/B3LYP/OH/Glycidol/Opt Opt | González Fabra, Joan | Gaussian; 09; EM64L-G09RevD.01 | Geometry optimization Minimum | RB3LYP | - | -268.435383606; Eh | |||
 | 1-Dec-2017 | /NMR_IR/NMR/B3LYP/OH/IC/Rot_3 8 | González Fabra, Joan | Gaussian; 09; EM64L-G09RevD.01 | Single point Structure | RB3LYP | - | -1838.95290279; Eh | |||
 | 1-Dec-2017 | /NMR_IR/NMR/B3LYP/OH/IC/Rot_4 3 | González Fabra, Joan | Gaussian; 09; EM64L-G09RevD.01 | Single point Structure | RB3LYP | - | -1839.00741884; Eh | |||
 | 1-Dec-2017 | /NMR_IR/NMR/B3LYP/OMe/Glycidol_Me/Glycidol_3 Glycidol_3 | González Fabra, Joan | Gaussian; 09; EM64L-G09RevD.01 | Geometry optimization Minimum | RB3LYP | - | -307.747447502; Eh | |||
 | 1-Dec-2017 | /NMR_IR/NMR/B3LYP/OH/IC/Opt Opt | González Fabra, Joan | Gaussian; 09; EM64L-G09RevD.01 | Geometry optimization Minimum | RB3LYP | - | -1839.01248042; Eh | |||
 | 1-Dec-2017 | /NMR_IR/NMR/B3LYP/OH/IC/Rot_4 5 | González Fabra, Joan | Gaussian; 09; EM64L-G09RevD.01 | Single point Structure | RB3LYP | - | -1838.98163927; Eh | |||
 | 1-Dec-2017 | /NMR_IR/NMR/B3LYP/OH/IC/Rot_4 0 | González Fabra, Joan | Gaussian; 09; EM64L-G09RevD.01 | Single point Structure | RB3LYP | - | -1839.01248042; Eh | |||
 | 1-Dec-2017 | /NMR_IR/NMR/B3LYP/OMe/IC_Me/NMR NMR | González Fabra, Joan | Gaussian; 09; EM64L-G09RevD.01 | Single point Structure | RB3LYP | - | -1878.31864583; Eh |
Results 21-30 of 62 (Search time: 0.001 seconds).