Main chemical species and molecular structure of deep eutectic solvent studied by experiments with DFT calculation: A case of choline chloride and magnesium chloride hexahydrate

Journal of Molecular Modeling

Volumn 20, Issue 8, 2014, Pages

  Zhang, Chao ^a   Jia, Yongzhong ^a   Jing, Yan ^a   Wang, Huaiyou ^a   Hong, Kai ^b  

^a QINGHAI INSTITUTE OF SALT LAKES   (China)

^b INSTITUTE OF GEOLOGY AND GEOPHYSICS   (China)

Author keywords

DFT; Infrared spectrum; Molecular structure

Indexed keywords

CHEMICAL COMPOUND; CHLORIDE ION; CHOLINE; MAGNESIUM CHLORIDE; MAGNESIUM DERIVATIVE; CHLORIDE; ION; SOLVENT;

ARTICLE; CHEMICAL STRUCTURE; DEHYDRATION; DENSITY FUNCTIONAL THEORY; DISSOCIATION; INFRARED SPECTROSCOPY; PRIORITY JOURNAL; CHEMISTRY; ELECTRON; ELECTROPLATING INDUSTRY; QUANTUM THEORY; SPECTROMETRY; THERMODYNAMICS; VIBRATION; X RAY DIFFRACTION;

CHLORIDES; CHOLINE; ELECTRONS; ELECTROPLATING; IONS; MAGNESIUM CHLORIDE; MODELS, MOLECULAR; QUANTUM THEORY; SOLVENTS; SPECTROMETRY, X-RAY EMISSION; SPECTROSCOPY, FOURIER TRANSFORM INFRARED; THERMODYNAMICS; VIBRATION; X-RAY DIFFRACTION;

EID: 84904235640     PISSN: 16102940     EISSN: 09485023     Source Type: Journal    
DOI: 10.1007/s00894-014-2374-6     Document Type: Article

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