Donald Truhlar

Citeras av

	Alla	Sedan 2020
Citat	246399	79307
h-index	200	102
i10-index	1417	714

16000

8000

4000

12000

19861987198819891990199119921993199419951996199719981999200020012002200320042005200620072008200920102011201220132014201520162017201820192020202120222023202420251073 943 954 1314 1317 1224 1174 1330 1498 1520 1817 1696 1944 2157 2088 2253 2584 2525 2818 3164 4099 4372 4681 5643 6165 7069 8445 9473 10733 11192 12372 12626 13636 13271 14885 14888 15480 15359 15944 2747

Offentlig åtkomst

Visa alla

298 artiklar

84 artiklar

tillgänglig

inte tillgänglig

Enligt krav från finansiärer

Medförfattare

Christopher J. CramerUL Research InstitutesVerifierad e-postadress på ul.org
Yan ZhaoSichuan UniversityVerifierad e-postadress på scu.edu.cn
Jiali GaoShenzhen Bay Laboratory and University of MinnesotaVerifierad e-postadress på jialigao.org
Jingjing ZhengSenior Scientist (Gaussian, Inc.)Verifierad e-postadress på gaussian.com
Jose C. CorchadoUniversidad de Extremadura, University of MinnesotaVerifierad e-postadress på unex.es
Xuefei XuTsinghua UniversityVerifierad e-postadress på umn.edu
Gregory D HawkinsSAPVerifierad e-postadress på sap.com
Benjamin J. LynchUniversity of MinnesotaVerifierad e-postadress på umn.edu
Yao-Yuan ChuangAssitant Professor of Applied Chemistry, National University of KaohsiungVerifierad e-postadress på nuk.edu.tw
Junwei Lucas BaoAssistant Professor, Chemistry Department, Boston CollegeVerifierad e-postadress på bc.edu
Ahren JasperArgonne National LaboratoryVerifierad e-postadress på anl.gov
Steven L. MielkeUniversity of Minnesota, Department of ChemistryVerifierad e-postadress på umn.edu
Donald KouriProfessor of Chemistry and Physics, University of HoustonVerifierad e-postadress på central.uh.edu
Pragya VermaUniversity of MinnesotaVerifierad e-postadress på umn.edu
Roberto PeveratiFlorida Institute of TechnologyVerifierad e-postadress på fit.edu
Zoltán VargaDepartment of Chemistry, University of MinnesotaVerifierad e-postadress på umn.edu
Jingzhi Pu (濮憬智)Associate Professor of Chemistry and Chemical Biology, IU IndianapolisVerifierad e-postadress på iu.edu
Hannah LeverentzWinona State UniversityVerifierad e-postadress på winona.edu
Dave GiesenSchrodinger, Inc.Verifierad e-postadress på schrodinger.com
Haoyu S. YuSchrodinger, inc.Verifierad e-postadress på schrodinger.com

Följ

Donald Truhlar

University of Minnesota

Verifierad e-postadress på umn.edu - Startsida

Chemistry Physics Computation


Titel Sortera efter citat Sortera efter år Sortera efter titel	Citeras av Citeras av	År
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	29729	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	16535	2009
Density functionals with broad applicability in chemistry Y Zhao, DG Truhlar Accounts of chemical research 41 (2), 157-167, 2008	7594	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	5514	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	4060	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	3242	2015
Implicit solvation models: equilibria, structure, spectra, and dynamics CJ Cramer, DG Truhlar Chemical Reviews 99, 2161-2200, 1999	2904	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	1985*	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	1960	2013
Density functional theory for transition metals and transition metal chemistry CJ Cramer, DG Truhlar Physical Chemistry Chemical Physics 11 (46), 10757-10816, 2009	1917	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	1868	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	1786	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	1747	2005
Adiabatic connection for kinetics BJ Lynch, PL Fast, M Harris, DG Truhlar The Journal of Physical Chemistry A 104 (21), 4811-4815, 2000	1724	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	1613	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	1562	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	1478	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	1476	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	1364	2004

Systemet kan inte utföra åtgärden just nu. Försök igen senare.

Artiklar 1–20

Citat per år

Dubblettcitat

Sammanfogade citat

Lägg till medförfattareMedförfattare

Följ

Citeras av

Medförfattare