Ab initio molecular dynamics investigation of the concentration dependence of charged defect transport in basic solutions via calculation of the infrared spectrum

Journal of Physical Chemistry B

Volumn 106, Issue 33, 2002, Pages 8009-8018

  Zhu, Zhongwei ^a   Tuckerman, Mark E ^a,b  

^a NEW YORK UNIVERSITY   (United States)

^b NEW YORK UNIVERSITY   (United States)

Author keywords

[No Author keywords available]

Indexed keywords

COMPUTER SIMULATION; DEFECTS; ELECTROLYTES; HYDROGEN BONDS; INFRARED SPECTROSCOPY; PROTONS; RAMAN SPECTROSCOPY;

DEFECT TRANSPORTATION;

MOLECULAR DYNAMICS;

EID: 0037158954     PISSN: 10895647     EISSN: None     Source Type: Journal    
DOI: 10.1021/jp020866m     Document Type: Article

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