Item hits:
Preview | Title | Author(s) | Program | Method(s) | Basis Set | Energy | Solv. | Vibr. |
---|---|---|---|---|---|---|---|---|
/ts_frequency 13_13_i | Li, Qiang | vasp; 5.3.3; 18Dez12 (build Apr 2 2013 14:53:31) complex | - | - | -667.52550018; eV | |||
/ts_frequency 12_23_c | Li, Qiang | vasp; 5.3.3; 18Dez12 (build Apr 2 2013 14:53:31) complex | - | - | -670.72536941; eV | |||
/ts_frequency 12_21_c | Li, Qiang | vasp; 5.3.3; 18Dez12 (build Apr 2 2013 14:53:31) complex | - | - | -670.28716092; eV | |||
/ts_frequency 12_15_c | Li, Qiang | vasp; 5.3.3; 18Dez12 (build Apr 2 2013 14:53:31) complex | - | - | -667.59559290; eV | |||
/ts_frequency 13_13_r | Li, Qiang | vasp; 5.3.3; 18Dez12 (build Apr 2 2013 14:53:31) complex | - | - | -666.51918367; eV | |||
/ts_frequency 13_17_c | Li, Qiang | vasp; 5.3.3; 18Dez12 (build Apr 2 2013 14:53:31) complex | - | - | -666.82968597; eV | |||
/ts_frequency 13_22_c | Li, Qiang | vasp; 5.3.3; 18Dez12 (build Apr 2 2013 14:53:31) complex | - | - | -670.52134833; eV | |||
/ts_frequency 13_33_c | Li, Qiang | vasp; 5.3.3; 18Dez12 (build Apr 2 2013 14:53:31) complex | - | - | -668.08390314; eV | |||
/ts_frequency 14_14_i | Li, Qiang | vasp; 5.3.3; 18Dez12 (build Apr 2 2013 14:53:31) complex | - | - | -656.04642602; eV | |||
/ts_frequency 13_22_r | Li, Qiang | vasp; 5.3.3; 18Dez12 (build Apr 2 2013 14:53:31) complex | - | - | -670.46951397; eV | |||
/ts_frequency 13_23_c | Li, Qiang | vasp; 5.3.3; 18Dez12 (build Apr 2 2013 14:53:31) complex | - | - | -670.82691710; eV | |||
/ts_frequency 24_27_c | Li, Qiang | vasp; 5.3.3; 18Dez12 (build Apr 2 2013 14:53:31) complex | - | - | -659.31645287; eV | |||
/ts_frequency 24_33_c | Li, Qiang | vasp; 5.3.3; 18Dez12 (build Apr 2 2013 14:53:31) complex | - | - | -660.13312857; eV | |||
/ts_frequency 11_11_i | Li, Qiang | vasp; 5.3.3; 18Dez12 (build Apr 2 2013 14:53:31) complex | - | - | -666.37251252; eV | |||
/ts_frequency 02_26_c | Li, Qiang | vasp; 5.3.3; 18Dez12 (build Apr 2 2013 14:53:31) complex | - | - | -659.64104864; eV | |||
/ts_frequency 11_14_c | Li, Qiang | vasp; 5.3.3; 18Dez12 (build Apr 2 2013 14:53:31) complex | - | - | -666.90031950; eV | |||
/ts_frequency 11_12_c | Li, Qiang | vasp; 5.3.3; 18Dez12 (build Apr 2 2013 14:53:31) complex | - | - | -667.64083698; eV | |||
/ts_frequency 11_21_c | Li, Qiang | vasp; 5.3.3; 18Dez12 (build Apr 2 2013 14:53:31) complex | - | - | -670.47415150; eV | |||
/ts_frequency 11_14_r | Li, Qiang | vasp; 5.3.3; 18Dez12 (build Apr 2 2013 14:53:31) complex | - | - | -666.17347535; eV | |||
/ts_frequency 11_22_c | Li, Qiang | vasp; 5.3.3; 18Dez12 (build Apr 2 2013 14:53:31) complex | - | - | -670.62937752; eV | |||
/ts_frequency 11_22_r | Li, Qiang | vasp; 5.3.3; 18Dez12 (build Apr 2 2013 14:53:31) complex | - | - | -669.83785095; eV | |||
/ts_frequency 12_11_c | Li, Qiang | vasp; 5.3.3; 18Dez12 (build Apr 2 2013 14:53:31) complex | - | - | -667.64083698; eV | |||
/ts_frequency 12_11_r | Li, Qiang | vasp; 5.3.3; 18Dez12 (build Apr 2 2013 14:53:31) complex | - | - | -666.07966736; eV | |||
/ts_frequency 33_33_i | Li, Qiang | vasp; 5.3.3; 18Dez12 (build Apr 2 2013 14:53:31) complex | - | - | -656.73939093; eV | |||
/ts_frequency 12_12_c | Li, Qiang | vasp; 5.3.3; 18Dez12 (build Apr 2 2013 14:53:31) complex | - | - | -667.41992819; eV |
Results 1-25 of 210 (Search time: 0.047 seconds).
Discover
Subject
- 210 gamma-valerolactone
- 210 HHDMA
- 210 Interfacial acidity
- 210 levulinic acid
- 210 Ruthenium
Stoichiometry
- 210 N/A
Program name
- 210 vasp
Calculation type
Institution