Development of polarizable models for molecular mechanical calculations I: Parameterization of atomic polarizability

Journal of Physical Chemistry B

Volumn 115, Issue 12, 2011, Pages 3091-3099

  Wang, Junmei ^a   Cieplak, Piotr ^b   Li, Jie ^c   Hou, Tingjun ^d   Luo, Ray ^e   Duan, Yong ^c  

^a UNIVERSITY OF TEXAS SOUTHWESTERN MEDICAL CENTER   (United States)

^b BURNHAM INSTITUTE   (United States)

^c UNIVERSITY OF CALIFORNIA   (United States)

^d SOOCHOW UNIVERSITY   (China)

^e UNIVERSITY OF CALIFORNIA   (United States)

Author keywords

[No Author keywords available]

Indexed keywords

ATOMS; DIHEDRAL ANGLE; IODINE; POLARIZATION;

ATOMIC CHARGE; ATOMIC POLARIZABILITY; BOND ANGLE; C-MODELS; DATA SETS; DEVELOPED MODEL; E-MODEL; EXPONENTIAL MODELS; MOLECULAR MECHANICALS; MOLECULAR POLARIZABILITIES; MOLECULAR REFRACTIONS; PERCENTAGE ERROR; POINT DIPOLE; POLARIZABILITY MODELS; POLARIZABLE MODEL;

FRUITS;

EID: 79953052268     PISSN: 15206106     EISSN: 15205207     Source Type: Journal    
DOI: 10.1021/jp112133g     Document Type: Article

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