An efficient linear-scaling electrostatic coupling for treating periodic boundary conditions in QM/MM simulations

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Author
Laino, Teodoro
Mohamed, Fawzi
Laio, Alessandro
Parrinello, Michele
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Date
2006
Type
  • Journal Article
Publication status
published
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Journal / series
Journal of Chemical Theory and Computation
Volume
2(5)
Pages / Article No.
1370 - 1378
Publisher
American Chemical Society
Organisational unit
03575 - Parrinello, Michele / Parrinello, Michele  
Notes
Received 29 March 2006, Published online 5 August 2006.
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Citations
Cited 82 times in Web of Science
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