The origin of the problems with the PM3 core repulsion function

Journal of Molecular Structure: THEOCHEM

Volumn 393, Issue 1-3 SPEC. ISS., 1997, Pages 31-38

  Csonka, Gábor I ^a,b   Ángyán, János G ^b  

^a BUDAPEST UNIVERSITY OF TECHNOLOGY AND ECONOMICS   (Hungary)

^b UNIVERSITÉ DE LORRAINE   (France)

Author keywords

Core repulsion function; PM3

Indexed keywords

EID: 0003056547     PISSN: 01661280     EISSN: None     Source Type: Journal    
DOI: 10.1016/s0166-1280(96)04872-5     Document Type: Article

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