Charges at Aqueous Interfaces: Development of Computational Approaches in Direct Contact with Experiment

Advances in Chemical Physics

Volumn 155, Issue , 2014, Pages 69-96

  Vácha, Robert ^a   Uhlig, Frank ^b   Jungwirth, Pavel ^b  

^a MASARYK UNIVERSITY   (Czech Republic)

^b INSTITUTE OF ORGANIC CHEMISTRY AND BIOCHEMISTRY   (Czech Republic)

Author keywords

Aqueous interfaces; Computational approaches; Electronic structure approach; Ionic charges; Polarization

Indexed keywords

CHARGED PARTICLES; COMPUTATIONAL METHODS; ELECTRONIC STRUCTURE; MOLECULAR DYNAMICS;

AB INITIO MOLECULAR DYNAMICS; AQUEOUS INTERFACES; COMPUTATIONAL APPROACH; INTERFACIAL BEHAVIORS; IONIC CHARGE; LINEAR POLARIZATION; POLARIZABLE FORCE FIELD; STRUCTURE AND ENERGETICS;

POLARIZATION;

EID: 84921263644     PISSN: None     EISSN: None     Source Type: Book    
DOI: 10.1002/9781118755815.ch02     Document Type: Chapter

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