Donald G. Truhlar

Chemistry University of Minnesota, Twin Cities, Minneapolis, MN 
Theoretical and Computational Chemistry
"Donald G. Truhlar"

Mean distance: 8.18


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Aron Kuppermann grad student 1969 Caltech
 (Quantum mechanical calculations for rearrangement collisions of electrons, atoms, and molecules)


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Gillian Shaw research assistant UMN
Luis Miguel Campos research assistant 2003 UMN
Xiao He research assistant 2014-2015 UMN
Yi-Ping Liu grad student UMN
Ruben Meana Paneda grad student
Steven L. Mielke grad student UMN
Eric Schwegler grad student UMN
Devarajan Thirumalai grad student UMN
Jie Bao grad student 2015- UMN
Rex T. Skodje grad student 1983 UMN
Susan C Tucker grad student 1984 UMN
Thanh N. Truong grad student 1990 UMN
Jianhua Xing grad student 1996-1998 UMN
Yao-Yuan Chuang grad student 1994-1999 UMN
Patton L. Fast grad student 2000 UMN
Michael D. Hack grad student 2000 UMN
Tiqing Liu grad student 2000 UMN
Yuri L. Volobuev grad student 2000 UMN
Ahren W. Jasper grad student 2003 UMN
Benjamin J. Lynch grad student 2003 UMN
Jason David Thompson grad student 2004 UMN
Jingzhi Pu grad student 1999-2004 UMN
Arindam Chakraborty grad student 2005 UMN
Vanessa M. Lynch grad student 2005 UMN
Yan Zhao grad student 2005 UMN
Shikha Nangia grad student 2006 UMN
Nathan E. Schultz grad student 2006 UMN
Erin E. Dahlke grad student 2007 UMN
Benjamin A. Ellingson grad student 2007 UMN
Casey P. Kelly grad student 2007 UMN
Wangshen Xie grad student 2008 UMN
Ewa Papajak grad student 2012 UMN
Tao Yu grad student 2012 UMN
Hannah R. Leverentz grad student 2007-2012 UMN
Sijie Luo grad student 2014 UMN
Ke R. Yang grad student 2014 UMN
John Alecu post-doc UMN
Boris Averkiev post-doc
Christopher J. Cramer post-doc UMN
Mark Alan Iron post-doc UMN
Miho Isegawa post-doc UMN
Gregory Tawa post-doc UMN
Bo Yang post-doc UMN
Robert Q. Topper post-doc 1990-1992 UMN
Melissa S. Reeves post-doc 1991-1993 UMN
Xavier Assfeld post-doc 1996 UMN
James Xidos post-doc 1999-2001 UMN
Hai Lin post-doc 2003-2005
Santhanamoorthi Nachimuthu post-doc 2010-2011 UMN
Anant  D. Kulkarni post-doc 2010-2012 UMN
Hannah R. Leverentz post-doc 2013-2013 UMN
Jingjing Zheng post-doc 2006-2015
Prasenjit Seal post-doc 2011-2015 UMN
Sijia Dong post-doc 2017-2019 UMN


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Soumen Ghosh collaborator 2014- UMN
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Zheng J, Ye J, Ortuño MA, et al. (2019) Selective Methane Oxidation to Methanol on Cu-oxo Dimers Stabilized by Zirconia Nodes of NU-1000 Metal-Organic Framework. Journal of the American Chemical Society
Zhao Y, Xia L, Liao X, et al. (2018) Extrapolation of high-order correlation energies: the WMS model. Physical Chemistry Chemical Physics : Pccp
Liu J, Ye J, Li Z, et al. (2018) Beyond the Active Site: Tuning the Activity and Selectivity of a Metal-Organic Framework-Supported Ni Catalyst for Ethylene Dimerization. Journal of the American Chemical Society
Ghosh S, Verma P, Cramer CJ, et al. (2018) Combining Wave Function Methods with Density Functional Theory for Excited States. Chemical Reviews
Bao JJ, Dong SS, Gagliardi L, et al. (2018) Automatic selection of an active space for calculating electronic excitation spectra by MS-CASPT2 or MC-PDFT. Journal of Chemical Theory and Computation
Dong SS, Gagliardi L, Truhlar DG. (2018) Excitation spectra of retinal by multiconfiguration pair-density functional theory. Physical Chemistry Chemical Physics : Pccp
Stoneburner SJ, Truhlar DG, Gagliardi L. (2018) MC-PDFT can calculate singlet-triplet splittings of organic diradicals. The Journal of Chemical Physics. 148: 064108
Verma P, Varga Z, Truhlar DG. (2018) Hyper Open-Shell Excited Spin States of Transition-Metal Compounds: FeF2, FeF2···ethane, and FeF2···ethylene. The Journal of Physical Chemistry. A
Bernales V, Ortuño MA, Truhlar DG, et al. (2018) Computational Design of Functionalized Metal-Organic Framework Nodes for Catalysis. Acs Central Science. 4: 5-19
Yang B, Gagliardi L, Truhlar DG. (2018) Transition states of spin-forbidden reactions. Physical Chemistry Chemical Physics : Pccp
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