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Journal of Molecular Modeling

Volumn 16, Issue 12, 2010, Pages 1931-1937

Theoretical studies on identity SN2 reactions of lithium halide and methyl halide: A microhydration model

(3) Zheng, Shiyuan a,c Xiong, Yan a Wang, Jinyue b

a CHONGQING UNIVERSITY (China)

b YIBIN UNIVERSITY (China)

c CHONGQING UNIVERSITY OF ARTS AND SCIENCES (China)

Author keywords

B3LYP; Hydration; Lithium halide; Methyl halide

Indexed keywords

COORDINATION COMPOUND; FLUOROMETHANE; HALIDE; HALOGEN; LITHIUM BROMIDE; LITHIUM CHLORIDE; LITHIUM DERIVATIVE; LITHIUM FLUORIDE; LITHIUM HALIDE; LITHIUM IODIDE; LITHIUM ION; METHYL BROMIDE; METHYL CHLORIDE; METHYL HALIDE; METHYL IODIDE; SODIUM IODIDE; UNCLASSIFIED DRUG;

AQUEOUS SOLUTION; ARTICLE; CALCULATION; CHEMICAL INTERACTION; CHEMICAL MODEL; CHEMICAL REACTION; CHEMICAL STRUCTURE; COMPLEX FORMATION; DENSITY FUNCTIONAL THEORY; ENERGY; HYDRATION; HYDROGEN BOND; PRIORITY JOURNAL; REACTION ANALYSIS; STRUCTURE ANALYSIS; TEMPERATURE DEPENDENCE; THEORY;

EID: 79951768997 PISSN: 16102940 EISSN: 09485023 Source Type: Journal
DOI: 10.1007/s00894-010-0688-6 Document Type: Article

Times cited : (11)

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