The polarizable continuum model (PCM) interfaced with the fragment molecular orbital method (FMO)

  1. Dmitri G. Fedorov1,*,
  2. Kazuo Kitaura1,
  3. Hui Li2,
  4. Jan H. Jensen3,
  5. Mark S. Gordon2

Article first published online: 7 APR 2006

DOI: 10.1002/jcc.20406

Issue

Journal of Computational Chemistry

Journal of Computational Chemistry

Volume 27, Issue 8, pages 976–985, June 2006

Additional Information

How to Cite

Fedorov, D. G., Kitaura, K., Li, H., Jensen, J. H. and Gordon, M. S. (2006), The polarizable continuum model (PCM) interfaced with the fragment molecular orbital method (FMO). J. Comput. Chem., 27: 976–985. doi: 10.1002/jcc.20406

Author Information

  1. 1

    National Institute of Advanced Industrial Science and Technology, 1-1-1 Umezono, Tsukuba, 305-8568 Ibaraki, Japan

  2. 2

    Ames Laboratory, US-DOE and Department of Chemistry, Iowa State University, Ames, Iowa 50011

  3. 3

    Department of Chemistry, University of Iowa, Iowa City, Iowa 52242

*National Institute of Advanced Industrial Science and Technology, 1-1-1 Umezono, Tsukuba, 305-8568 Ibaraki, Japan

Publication History

  1. Issue published online: 7 APR 2006
  2. Article first published online: 7 APR 2006
  3. Manuscript Accepted: 5 JAN 2006
  4. Manuscript Received: 17 OCT 2005

Funded by

  • Grant-in-Aid for Scientific Research (Ministry of Education, Culture, Sports, Science and Technology, Japan)
  • NAREGI Nanoscience Project (Ministry of Education, Culture, Sports, Science and Technology, Japan)
  • CREST (JST, Japan)
  • SciDAC grant from the U.S. Department of Energy
  • HEDM grant from the U.S. Air Force Office of Scientific Research
  • NSF. Grant Number: MCB 0209941

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