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. |
|---|---|---|---|---|---|---|---|---|---|---|---|
 | 1-Dec-2017 | /NMR_IR/NMR/B3LYP/OH/IC/Rot_4 9 | González Fabra, Joan | Gaussian; 09; EM64L-G09RevD.01 | Single point Structure | RB3LYP | - | -1838.93183561; Eh | |||
 | 1-Dec-2017 | /NMR_IR/NMR/B3LYP/OH/IC/Rot_3 7 | González Fabra, Joan | Gaussian; 09; EM64L-G09RevD.01 | Single point Structure | RB3LYP | - | -1838.19733136; Eh | |||
 | 1-Dec-2017 | /NMR_IR/NMR/B3LYP/OH/Glycidol/Glycidol_3/NMR NMR | González Fabra, Joan | Gaussian; 09; EM64L-G09RevD.01 | Single point Structure | RB3LYP | - | -268.432722877; Eh | |||
 | 1-Dec-2017 | /NMR_IR/NMR/B3LYP/OH/IC/Rot_3 9 | González Fabra, Joan | Gaussian; 09; EM64L-G09RevD.01 | Single point Structure | RB3LYP | - | -1839.01031679; Eh | |||
 | 1-Dec-2017 | /NMR_IR/NMR/B3LYP/OH/IC/Rot_3/10 10 | González Fabra, Joan | Gaussian; 09; EM64L-G09RevD.01 | Single point Structure | RB3LYP | - | -1839.00894838; Eh | |||
 | 1-Dec-2017 | /NMR_IR/NMR/B3LYP/OH/IC/Rot_4 7 | González Fabra, Joan | Gaussian; 09; EM64L-G09RevD.01 | Single point Structure | RB3LYP | - | -1838.80541171; Eh | |||
 | 1-Dec-2017 | /NMR_IR/NMR/B3LYP/OH/IC/Rot_3 3 | González Fabra, Joan | Gaussian; 09; EM64L-G09RevD.01 | Single point Structure | RB3LYP | - | -1838.82059351; Eh | |||
 | 1-Dec-2017 | /NMR_IR/NMR/B3LYP/OH/Glycidol/NMR NMR | González Fabra, Joan | Gaussian; 09; EM64L-G09RevD.01 | Single point Structure | RB3LYP | - | -268.435383606; Eh | |||
 | 1-Dec-2017 | /NMR_IR/NMR/B3LYP/OH/IC/Rot_4 6 | González Fabra, Joan | Gaussian; 09; EM64L-G09RevD.01 | Single point Structure | RB3LYP | - | -1838.91515836; Eh | |||
 | 1-Dec-2017 | /NMR_IR/NMR/B3LYP/OH/IC/Rot_3 2 | González Fabra, Joan | Gaussian; 09; EM64L-G09RevD.01 | Single point Structure | RB3LYP | - | -1838.95668635; Eh |
Results 1-10 of 34 (Search time: 0.001 seconds).
Discover
Subject