A fast QM/MM (quantum mechanical/molecular mechanical) approach to calculate nuclear magnetic resonance chemical shifts for macromolecules

Journal of Chemical Theory and Computation

Volumn 2, Issue 1, 2006, Pages 209-215

  Wang, Bing ^a   Merz Jr , Kenneth M ^a,b  

^a PENNSYLVANIA STATE UNIVERSITY   (United States)

^b UNIVERSITY OF FLORIDA   (United States)

Author keywords

[No Author keywords available]

Indexed keywords

EID: 33846321576     PISSN: 15499618     EISSN: None     Source Type: Journal    
DOI: 10.1021/ct050212s     Document Type: Article

References (32)

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