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Volumn 4, Issue 4, 2002, Pages 628-634

Preferential solvation of Ca2+ in aqueous ammonia solution: Classical and combined ab initio quantum mechanical/molecular mechanical molecular dynamics simulations

(3) Tongraar, Anan a Sagarik, Kritsana a Michael Rode, Bernd b

a SURANAREE UNIVERSITY OF TECHNOLOGY (Thailand)

b UNIVERSITY OF INNSBRUCK (Austria)

Author keywords

[No Author keywords available]

Indexed keywords

AMMONIA; CALCIUM ION; LIGAND; WATER;

AB INITIO CALCULATION; ARTICLE; COMPARATIVE STUDY; GEOMETRY; MOLECULAR DYNAMICS; QUANTUM MECHANICS; SIMULATION; SOLVATION; STRUCTURE ANALYSIS;

EID: 0036182662 PISSN: 14639076 EISSN: None Source Type: Journal
DOI: 10.1039/b107786d Document Type: Article

Times cited : (29)

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