Haeffner, Fredrik - Boston College - Department of Chemistry

个人简介

Ph.D., Royal Institute of Technology, Stockholm, Sweden, 1998 Senior Research Associate, Boston College 2011-2013 Guest Research Scientist, National Institute of Standards and Technology, Gaithersburg, Maryland, 2009-2011

研究领域

Professor Haeffner is a computational chemist with interests in chemical reactivity and selectivity involving organic and organometallic reactions, enzyme and small molecule catalysis, and in silico design and optimization of catalysts for a variety of reactions. Professor Haeffner joined the chemistry department to share his expertise in computational chemistry with students and faculty members and to expand the use of this important tool in research carried out at the department.

近期论文

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Silverio DL, Torker S, Pilyugina T, Vieira EM, Snapper ML, Haeffner F, Hoveyda, AH. Nature 2013, 494, 216-221. Simple Organic Molecules as Catalysts for Enantioselective Synthesis of Amines and Alcohols. Manville N, Alite H, Haeffner F, Hoveyda AH, Snapper ML. Nature Chemistry 2013, 5, 768–774. Small-Molecule Achiral Heterocycles as Co-Catalysts for Enantioselective Alcohol Silyl Ether Formation. Haeffner F, Marquez M, Gonzalez C. Journal of Physical Chemistry B 2007, 111, 268-272. Density Functional Theory Predicts Room Temperature C-F Activation by a Fluoro-Calix[4]Pyrrole-tert-Amine Macrocycle. Haeffner F, Houk KN, Schulze SM, Lee JK. Journal of Organic Chemistry 2003, 68, 2310-2316. Concerted Rearrangement versus Heterolytic Cleavage in Anionic [2,3]- and [3,3]-Sigmatropic Shifts. A DFT Study of Relationships Among Anion Stabilities, Mechanisms and Rates. Haeffner F, Norin T, Hult K. Biophysical Journal 1998, 74, 1251-1262. Molecular Modeling of the Enantioselectivity in Lipase-Catalyzed Transesterification Reactions.