Convergence of electronic structure with the size of the QM region: Example of QM/MM NMR shieldings

Journal of Chemical Theory and Computation

Volumn 8, Issue 7, 2012, Pages 2260-2271

  Flaig, Denis ^a   Beer, Matthias ^a   Ochsenfeld, Christian ^a  

^a UNIVERSITY OF MUNICH   (Germany)

Author keywords

[No Author keywords available]

Indexed keywords

EID: 84863698244     PISSN: 15499618     EISSN: 15499626     Source Type: Journal    
DOI: 10.1021/ct300036s     Document Type: Article

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