Donald Truhlar

Dikutip oleh

	Semua	Sejak 2020
Kutipan	248382	80434
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293 artikel

86 artikel

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Christopher J. CramerUL Research InstitutesEmail yang diverifikasi di ul.org
Yan ZhaoSichuan UniversityEmail yang diverifikasi di scu.edu.cn
Jiali GaoShenzhen Bay Laboratory and University of MinnesotaEmail yang diverifikasi di jialigao.org
Jingjing ZhengSenior Scientist (Gaussian, Inc.)Email yang diverifikasi di gaussian.com
Jose C. CorchadoUniversidad de Extremadura, University of MinnesotaEmail yang diverifikasi di unex.es
Gregory D HawkinsSAPEmail yang diverifikasi di sap.com
Xuefei XuTsinghua UniversityEmail yang diverifikasi di umn.edu
Benjamin J. LynchUniversity of MinnesotaEmail yang diverifikasi di umn.edu
Yao-Yuan ChuangAssitant Professor of Applied Chemistry, National University of KaohsiungEmail yang diverifikasi di nuk.edu.tw
Ahren JasperArgonne National LaboratoryEmail yang diverifikasi di anl.gov
Junwei Lucas BaoAssistant Professor, Chemistry Department, Boston CollegeEmail yang diverifikasi di bc.edu
Steven L. MielkeUniversity of Minnesota, Department of ChemistryEmail yang diverifikasi di umn.edu
Donald KouriProfessor of Chemistry and Physics, University of HoustonEmail yang diverifikasi di central.uh.edu
Pragya VermaUniversity of MinnesotaEmail yang diverifikasi di umn.edu
Roberto PeveratiFlorida Institute of TechnologyEmail yang diverifikasi di fit.edu
Zoltán VargaDepartment of Chemistry, University of MinnesotaEmail yang diverifikasi di umn.edu
Hannah LeverentzWinona State UniversityEmail yang diverifikasi di winona.edu
Jingzhi Pu (濮憬智)Associate Professor of Chemistry and Chemical Biology, IU IndianapolisEmail yang diverifikasi di iu.edu
Dave GiesenSchrodinger, Inc.Email yang diverifikasi di schrodinger.com
Haoyu S. YuSchrodinger, inc.Email yang diverifikasi di schrodinger.com

Ikuti

Donald Truhlar

University of Minnesota

Email yang diverifikasi di umn.edu - Beranda

Chemistry Physics Computation


Judul Urutkan menurut kutipan Urutkan menurut tahun Urutkan menurut judul	Dikutip oleh Dikutip oleh	Tahun
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 (1), 215-241, 2008	30530	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	16683	2009
Density functionals with broad applicability in chemistry Y Zhao, DG Truhlar Accounts of chemical research 41 (2), 157-167, 2008	7604	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	5534	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	4052	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	3243	2015
Implicit solvation models: equilibria, structure, spectra, and dynamics CJ Cramer, DG Truhlar Chemical Reviews 99, 2161-2200, 1999	2911	1999
Current status of transition-state theory DG Truhlar, BC Garrett, SJ Klippenstein The Journal of physical chemistry 100 (31), 12771-12800, 1996	2425	1996
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	1967	2013
Variational transition-state theory DG Truhlar, BC Garrett Accounts of Chemical Research 13 (12), 440-448, 1980	1965*	1980
Density functional theory for transition metals and transition metal chemistry CJ Cramer, DG Truhlar Physical Chemistry Chemical Physics 11 (46), 10757-10816, 2009	1920	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	1873	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	1791	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	1758	2005
Adiabatic connection for kinetics BJ Lynch, PL Fast, M Harris, DG Truhlar The Journal of Physical Chemistry A 104 (21), 4811-4815, 2000	1715	2000
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	1585	2010
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	1545	2016
QM/MM: what have we learned, where are we, and where do we go from here? H Lin, DG Truhlar Theoretical Chemistry Accounts 117 (2), 185-199, 2007	1486	2007
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	1480	2006
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	1364	2004

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