Solution structure of energy stored system I: Aqua-B(OH)4 -: A DFT, car-parrinello molecular dynamics, and Raman study

Journal of Physical Chemistry B

Volumn 117, Issue 39, 2013, Pages 11709-11718

  Zhou, Yongquan ^a,b   Fang, Yan ^a   Fang, Chunhui ^a   Zhu, Fayan ^a   Ge, Haiwen ^a   Chen, Qiaoling ^a,b  

^a QINGHAI INSTITUTE OF SALT LAKES   (China)

^b UNIVERSITY OF CHINESE ACADEMY OF SCIENCES   (China)

Author keywords

[No Author keywords available]

Indexed keywords

CAR-PARRINELLO MOLECULAR DYNAMICS; CAR-PARRINELLO MOLECULAR DYNAMICS SIMULATIONS; CHARACTERISTIC FREQUENCIES; DOUBLE HYDROGEN BONDING; HYDRATION STRUCTURE; SOLUTION STRUCTURES; STABLE CONFIGURATION; STRETCHING VIBRATIONS;

HYDROGEN BONDS; MOLECULAR DYNAMICS; STRETCHING;

HYDRATION;

EID: 84885127840     PISSN: 15206106     EISSN: 15205207     Source Type: Journal    
DOI: 10.1021/jp405708e     Document Type: Article

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