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  Exploiting QM/MM capabilities in geometry optimization: A microiterative approach using electrostatic embedding

Kästner, J., Thiel, S., Senn, H. M., Sherwood, P., & Thiel, W. (2007). Exploiting QM/MM capabilities in geometry optimization: A microiterative approach using electrostatic embedding. Journal of Chemical Theory and Computation, 3, 1064-1072. doi:10.1021/ct600346p.

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 Creators:
Kästner, J.1, Author              
Thiel, S.1, Author              
Senn, H. M.1, Author              
Sherwood, P.2, Author
Thiel, W.1, Author              
Affiliations:
1Research Department Thiel, Max-Planck-Institut für Kohlenforschung, Max Planck Society, ou_1445590              
2SERC, Daresbury Lab, Comp Sci & Engn Dept, Warrington WA4 4AD, Cheshire, England., ou_persistent22              

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Language(s): eng - English
 Dates: 2007
 Publication Status: Published in print
 Pages: -
 Publishing info: -
 Table of Contents: -
 Rev. Type: Peer
 Identifiers: eDoc: 337639
DOI: 10.1021/ct600346p
ISI: 000246282600043
 Degree: -

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Title: Journal of Chemical Theory and Computation
  Alternative Title : J. Chem. Theory Comput.
Source Genre: Journal
 Creator(s):
Affiliations:
Publ. Info: -
Pages: - Volume / Issue: 3 Sequence Number: - Start / End Page: 1064 - 1072 Identifier: ISSN: 1549-9618