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Page 1
Haptic quantum chemistry.
Marti KH, Reiher M. Marti KH, et al. Among authors: reiher m. J Comput Chem. 2009 Oct;30(13):2010-20. doi: 10.1002/jcc.21201. J Comput Chem. 2009. PMID: 19130501
QM/MM vibrational mode tracking.
Herrmann C, Neugebauer J, Reiher M. Herrmann C, et al. Among authors: reiher m. J Comput Chem. 2008 Nov 15;29(14):2460-70. doi: 10.1002/jcc.20988. J Comput Chem. 2008. PMID: 18470972
Accurate ab Initio Spin Densities.
Boguslawski K, Marti KH, Legeza O, Reiher M. Boguslawski K, et al. Among authors: reiher m. J Chem Theory Comput. 2012 Jun 12;8(6):1970-1982. doi: 10.1021/ct300211j. Epub 2012 Apr 26. J Chem Theory Comput. 2012. PMID: 22707921 Free PMC article.
262 results