安裝中文字典英文字典辭典工具!
安裝中文字典英文字典辭典工具!
|
- Simulating the vibrational spectra of ionic liquid systems: 1-ethyl-3 . . .
The vibrational spectra of the ionic liquid 1-ethyl-3-methylimidazolium acetate and its mixtures with water and carbon dioxide are calculated using ab initio molecular dynamics simulations, and the results are compared to experimental data
- 1-Ethyl-3-methylimidazolium acetate as a highly efficient . . . - Nature
Herein, we present that 1-ethyl-3-methylimidazolium acetate ( [EMIM]OAc) is a highly efficient catalyst for such a transformation We started our studies by examination of the catalytic
- Vibrational Spectroscopy - brehm-research. de
M Thomas, M Brehm, O Hollóczki, Z Kelemen, L Nyulászi, T Pasinszki*, B Kirchner*: "Simulating the Vibrational Spectra of Ionic Liquid Systems: 1-Ethyl-3-Methylimidazolium Acetate and its Mixtures"
- Simulating structure and dynamics in small droplets of 1-ethyl-3 . . .
To investigate the structure and dynamics of small ionic liquid droplets in gas phase, we performed a DFT-based ab initio molecular dynamics study of several 1-ethyl-3-methylimidazolium acetate clusters in vacuum as well as a bulk phase simulation We introduce an unbiased criterion for average droplet diameter and density
- Reversible Carbene Formation in the Ionic Liquid 1-Ethyl-3 . . .
The role of N-heterocyclic carbenes in the chemistry of ionic liquids based on imidazolium salts has long been discussed Here, we present experimental evidence that 1-ethyl-3-methylimidazolium-2-ylidene (EMIm) can coexist with its protonated imidazolium cation (EMImH +) at low temperatures
- Sci-Hub | Simulating the vibrational spectra of ionic liquid systems: 1 . . .
Thomas, M , Brehm, M , Hollóczki, O , Kelemen, Z , Nyulászi, L , Pasinszki, T , Kirchner, B (2014) Simulating the vibrational spectra of ionic liquid systems: 1-Ethyl-3-methylimidazolium acetate and its mixtures The Journal of Chemical Physics, 141(2), 024510 doi:10 1063 1 4887082
- Vibrational spectroscopy of imidazolium-based ionic liquids: A combined . . .
Herein, C H stretching vibrations of ionic liquids based on 1-butyl-3-methylimidazolium (BMI +) cations paired with Cl −, Br − or BF 4 − anions are studied via molecular dynamics (MD) simulations and ab initio methods and compared with experiments
- Charge Screening in the SN2 Reaction of Charged Electrophiles and . . .
Martin Thomas, Martin Brehm, Oldamur Hollóczki, Barbara Kirchner How Can a Carbene be Active in an Ionic Liquid? Chemistry - A European Journal 2014, 20 (6) , 1622-1629
|
|
|