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Automated Transition State Search and Its Application to Diverse Types of Organic Reactions.
J Chem Theory Comput. 2017 Nov 14;13(11):5780-5797. doi: 10.1021/acs.jctc.7b00764. Epub 2017 Oct 17.
J Chem Theory Comput. 2017.
PMID: 28957627
Multiconformation, Density Functional Theory-Based pKa Prediction in Application to Large, Flexible Organic Molecules with Diverse Functional Groups.
Bochevarov AD, Watson MA, Greenwood JR, Philipp DM.
Bochevarov AD, et al. Among authors: philipp dm.
J Chem Theory Comput. 2016 Dec 13;12(12):6001-6019. doi: 10.1021/acs.jctc.6b00805. Epub 2016 Nov 29.
J Chem Theory Comput. 2016.
PMID: 27951674
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Intermediates in dioxygen activation by methane monooxygenase: a QM/MM study.
Rinaldo D, Philipp DM, Lippard SJ, Friesner RA.
Rinaldo D, et al. Among authors: philipp dm.
J Am Chem Soc. 2007 Mar 21;129(11):3135-47. doi: 10.1021/ja0654074. Epub 2007 Feb 28.
J Am Chem Soc. 2007.
PMID: 17326634
Free PMC article.
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Integrated Modeling Program, Applied Chemical Theory (IMPACT).
Banks JL, Beard HS, Cao Y, Cho AE, Damm W, Farid R, Felts AK, Halgren TA, Mainz DT, Maple JR, Murphy R, Philipp DM, Repasky MP, Zhang LY, Berne BJ, Friesner RA, Gallicchio E, Levy RM.
Banks JL, et al. Among authors: philipp dm.
J Comput Chem. 2005 Dec;26(16):1752-80. doi: 10.1002/jcc.20292.
J Comput Chem. 2005.
PMID: 16211539
Free PMC article.
Review.
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Computational insights on the challenges for polymerizing polar monomers.
Philipp DM, Muller RP, Goddard WA 3rd, Storer J, McAdon M, Mullins M.
Philipp DM, et al.
J Am Chem Soc. 2002 Aug 28;124(34):10198-210. doi: 10.1021/ja0157705.
J Am Chem Soc. 2002.
PMID: 12188685
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Copolymerization studies of vinyl chloride and vinyl acetate with ethylene using a transition-metal catalyst.
Boone HW, Athey PS, Mullins MJ, Philipp D, Muller R, Goddard WA.
Boone HW, et al.
J Am Chem Soc. 2002 Jul 31;124(30):8790-1. doi: 10.1021/ja0260061.
J Am Chem Soc. 2002.
PMID: 12137520
Free article.
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