Numerical stabilities in fitting atomic charges to electric field and electrostatic potential

Journal of Theoretical and Computational Chemistry

Volumn 8, Issue 5, 2009, Pages 925-942

  Mei, Ye ^a   Zhang, John Z H ^a,b  

^a EAST CHINA NORMAL UNIVERSITY   (China)

^b NEW YORK UNIVERSITY   (United States)

Author keywords

Charge fit; Electric field; Electrostatic potential; Numerical stability

Indexed keywords

EID: 70449564518     PISSN: 02196336     EISSN: None     Source Type: Journal    
DOI: 10.1142/S0219633609005295     Document Type: Article

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