A born - Oppenheimer ab initio quantum mechanical/molecular mechanical molecular dynamics simulation on preferential solvation of Na+ in aqueous ammonia solution

Journal of Physical Chemistry A

Volumn 105, Issue 2, 2001, Pages 506-510

  Tongraar, Anan ^a   Rode, Bernd Michael ^b  

^a SURANAREE UNIVERSITY OF TECHNOLOGY   (Thailand)

^b UNIVERSITY OF INNSBRUCK   (Austria)

Author keywords

[No Author keywords available]

Indexed keywords

AMMONIA; COMPUTER SIMULATION; IONS; MOLECULAR DYNAMICS; MOLECULAR STRUCTURE; QUANTUM THEORY; SOLUTIONS; SOLVENTS; WATER;

BORN-OPPENHEIMER AB INITIO QUANTUM MECHANICAL; LIGANDS; SOLVATION;

SODIUM;

EID: 0035135704     PISSN: 10895639     EISSN: None     Source Type: Journal    
DOI: 10.1021/jp003395h     Document Type: Article

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