Theoretical understanding on the v1-SO42- band perturbed by the formation of magnesium sulfate ion pairs

Journal of Computational Chemistry

Volumn 30, Issue 3, 2009, Pages 493-503

  Zhang, Hao ^a,b   Zhang, Yun Hong ^a   Wang, Feng ^a  

^a BEIJING INSTITUTE OF TECHNOLOGY   (China)

^b JILIN UNIVERSITY   (China)

Author keywords

Ion pairs; Magnesium sulfate; V1 so42 band

Indexed keywords

DRYING; HEAVY WATER; HYDRATES; HYDROGEN; HYDROGEN BONDS; LIGHT METALS; MAGNESIUM; MAGNESIUM PRINTING PLATES; MOLECULES; SPHERES; SURFACE CHEMISTRY;

AB-INITIO CALCULATIONS; BLUE SHIFTS; CONTACT ION PAIRS; COUPLING EFFECTS; DIRECT CONTACTS; HIGH CONCENTRATIONS; HYDROGEN BONDINGS; HYDROGEN-BONDING EFFECTS; ION PAIRS; MAGNESIUM SULFATE; MONODENTATE; PRODUCTION PROCESS; SPECTRAL EVOLUTIONS; SPECTROSCOPIC CHARACTERISTICS; SULFATE IONS; V1-SO42- BAND; WATER MOLECULES;

IONS;

ION; MAGNESIUM SULFATE; SULFATE;

ARTICLE; CHEMICAL MODEL; CHEMISTRY; COMPUTER SIMULATION; CONFORMATION; HYDROGEN BOND; QUANTUM THEORY; VIBRATION;

COMPUTER SIMULATION; HYDROGEN BONDING; IONS; MAGNESIUM SULFATE; MODELS, CHEMICAL; MOLECULAR CONFORMATION; QUANTUM THEORY; SULFATES; VIBRATION;

EID: 59849084817     PISSN: 01928651     EISSN: 1096987X     Source Type: Journal    
DOI: 10.1002/jcc.21077     Document Type: Article

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