Donald Truhlar

Cited by

	All	Since 2020
Citations	245817	78742
h-index	200	101
i10-index	1414	713

16000

8000

4000

12000

19861987198819891990199119921993199419951996199719981999200020012002200320042005200620072008200920102011201220132014201520162017201820192020202120222023202420251073 943 953 1314 1317 1224 1175 1330 1496 1519 1817 1696 1944 2157 2077 2264 2583 2524 2818 3164 4099 4379 4681 5644 6173 7068 8437 9478 10729 11193 12369 12624 13639 13256 14878 14881 15464 15286 15971 2258

Public access

View all

298 articles

84 articles

available

not available

Based on funding mandates

Co-authors

Christopher J. CramerUL Research InstitutesVerified email at ul.org
Yan ZhaoSichuan UniversityVerified email at scu.edu.cn
Jiali GaoShenzhen Bay Laboratory and University of MinnesotaVerified email at jialigao.org
Jingjing ZhengSenior Scientist (Gaussian, Inc.)Verified email at gaussian.com
Jose C. CorchadoUniversidad de Extremadura, University of MinnesotaVerified email at unex.es
Gregory D HawkinsSAPVerified email at sap.com
Xuefei XuTsinghua UniversityVerified email at umn.edu
Benjamin J. LynchUniversity of MinnesotaVerified email at umn.edu
Yao-Yuan ChuangAssitant Professor of Applied Chemistry, National University of KaohsiungVerified email at nuk.edu.tw
Junwei Lucas BaoAssistant Professor, Chemistry Department, Boston CollegeVerified email at bc.edu
Ahren JasperArgonne National LaboratoryVerified email at anl.gov
Steven L. MielkeUniversity of Minnesota, Department of ChemistryVerified email at umn.edu
Donald KouriProfessor of Chemistry and Physics, University of HoustonVerified email at central.uh.edu
Pragya VermaUniversity of MinnesotaVerified email at umn.edu
Roberto PeveratiFlorida Institute of TechnologyVerified email at fit.edu
Zoltán VargaDepartment of Chemistry, University of MinnesotaVerified email at umn.edu
Jingzhi Pu (濮憬智)Associate Professor of Chemistry and Chemical Biology, IU IndianapolisVerified email at iu.edu
Hannah LeverentzWinona State UniversityVerified email at winona.edu
Dave GiesenSchrodinger, Inc.Verified email at schrodinger.com
Haoyu S. YuSchrodinger, inc.Verified email at schrodinger.com

Donald Truhlar

University of Minnesota

Verified email at umn.edu - Homepage

Chemistry Physics Computation


Title Sort by citations Sort by year Sort by title	Cited by Cited by	Year
The M06 suite of density functionals for main group thermochemistry, thermochemical kinetics, noncovalent interactions, excited states, and transition elements: two new … Y Zhao, DG Truhlar Theoretical chemistry accounts 120, 215-241, 2008	29625	2008
Universal solvation model based on solute electron density and on a continuum model of the solvent defined by the bulk dielectric constant and atomic surface tensions AV Marenich, CJ Cramer, DG Truhlar The Journal of Physical Chemistry B 113 (18), 6378-6396, 2009	16463	2009
Density functionals with broad applicability in chemistry Y Zhao, DG Truhlar Accounts of chemical research 41 (2), 157-167, 2008	7580	2008
A new local density functional for main-group thermochemistry, transition metal bonding, thermochemical kinetics, and noncovalent interactions Y Zhao, DG Truhlar The Journal of chemical physics 125 (19), 2006	5503	2006
Design of density functionals by combining the method of constraint satisfaction with parametrization for thermochemistry, thermochemical kinetics, and noncovalent interactions Y Zhao, NE Schultz, DG Truhlar Journal of chemical theory and computation 2 (2), 364-382, 2006	4055	2006
Advances in molecular quantum chemistry contained in the Q-Chem 4 program package Y Shao, Z Gan, E Epifanovsky, ATB Gilbert, M Wormit, J Kussmann, ... Molecular Physics 113 (2), 184-215, 2015	3239	2015
Implicit solvation models: equilibria, structure, spectra, and dynamics CJ Cramer, DG Truhlar Chemical Reviews 99, 2161-2200, 1999	2900	1999
Current status of transition-state theory DG Truhlar, BC Garrett, SJ Klippenstein The Journal of physical chemistry 100 (31), 12771-12800, 1996	2427	1996
Variational transition-state theory DG Truhlar, BC Garrett Accounts of Chemical Research 13 (12), 440-448, 1980	1983*	1980
Chemical applications of atomic and molecular electrostatic potentials: reactivity, structure, scattering, and energetics of organic, inorganic, and biological systems P Politzer, DG Truhlar Springer Science & Business Media, 2013	1957	2013
Density functional theory for transition metals and transition metal chemistry CJ Cramer, DG Truhlar Physical Chemistry Chemical Physics 11 (46), 10757-10816, 2009	1916	2009
Consistent van der Waals radii for the whole main group M Mantina, AC Chamberlin, R Valero, CJ Cramer, DG Truhlar The Journal of Physical Chemistry A 113 (19), 5806-5812, 2009	1862	2009
Hybrid meta density functional theory methods for thermochemistry, thermochemical kinetics, and noncovalent interactions: the MPW1B95 and MPWB1K models and comparative … Y Zhao, DG Truhlar The Journal of Physical Chemistry A 108 (33), 6908-6918, 2004	1783	2004
Design of density functionals that are broadly accurate for thermochemistry, thermochemical kinetics, and nonbonded interactions Y Zhao, DG Truhlar The Journal of Physical Chemistry A 109 (25), 5656-5667, 2005	1746	2005
Adiabatic connection for kinetics BJ Lynch, PL Fast, M Harris, DG Truhlar The Journal of Physical Chemistry A 104 (21), 4811-4815, 2000	1723	2000
Molcas 8: New capabilities for multiconfigurational quantum chemical calculations across the periodic table F Aquilante, J Autschbach, RK Carlson, LF Chibotaru, MG Delcey, ... Journal of computational chemistry 37 (5), 506-541, 2016	1609	2016
Computational thermochemistry: scale factor databases and scale factors for vibrational frequencies obtained from electronic model chemistries IM Alecu, J Zheng, Y Zhao, DG Truhlar Journal of chemical theory and computation 6 (9), 2872-2887, 2010	1556	2010
Density functional for spectroscopy: no long-range self-interaction error, good performance for Rydberg and charge-transfer states, and better performance on average than B3LYP … Y Zhao, DG Truhlar The Journal of Physical Chemistry A 110 (49), 13126-13130, 2006	1476	2006
QM/MM: what have we learned, where are we, and where do we go from here? H Lin, DG Truhlar Theoretical Chemistry Accounts 117, 185-199, 2007	1469	2007
How enzymes work: analysis by modern rate theory and computer simulations M Garcia-Viloca, J Gao, M Karplus, DG Truhlar Science 303 (5655), 186-195, 2004	1360	2004

The system can't perform the operation now. Try again later.

Articles 1–20

Citations per year

Duplicate citations

Merged citations

Add co-authorsCo-authors

Follow

Cited by

Co-authors