QM/MM connection atoms for the multistate treatment of organic and biological molecules

Theoretical Chemistry Accounts

Volumn 111, Issue 2-6, 2004, Pages 270-279

  Toniolo, A ^a   Ciminelli, C ^a   Granucci, G ^a   Laino, T ^b   Persico, M ^a  

^a UNIVERSITY OF PISA   (Italy)

^b INFM   (Italy)

Author keywords

Connection atom; Hybrid QM MM methods; Photobiology; Photochemistry; Semiempirical methods

Indexed keywords

ALIPHATIC COMPOUND; NITROGEN DERIVATIVE; ORGANIC COMPOUND;

ARTICLE; CALCULATION; CHEMICAL BOND; DISSOCIATION; ELECTRICITY; ENERGY; MOLECULAR DYNAMICS; MOLECULAR INTERACTION; MOLECULAR PHYSICS; PHOTOCHEMISTRY; THEORETICAL STUDY;

EID: 2442528286     PISSN: 1432881X     EISSN: None     Source Type: Journal    
DOI: 10.1007/s00214-003-0522-7     Document Type: Article

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