Donald Truhlar

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Finansman sağlayan kuruluşun getirdiği zorunluluğa dayalı olarak

Katkıda bulunan yazarlar

Christopher J. CramerUL Research Institutesul.org üzerinde doğrulanmış e-posta adresine sahip
Yan ZhaoSichuan Universityscu.edu.cn üzerinde doğrulanmış e-posta adresine sahip
Jiali GaoShenzhen Bay Laboratory and University of Minnesotajialigao.org üzerinde doğrulanmış e-posta adresine sahip
Jingjing ZhengSenior Scientist (Gaussian, Inc.)gaussian.com üzerinde doğrulanmış e-posta adresine sahip
Jose C. CorchadoUniversidad de Extremadura, University of Minnesotaunex.es üzerinde doğrulanmış e-posta adresine sahip
Gregory D HawkinsSAPsap.com üzerinde doğrulanmış e-posta adresine sahip
Xuefei XuTsinghua Universityumn.edu üzerinde doğrulanmış e-posta adresine sahip
Benjamin J. LynchUniversity of Minnesotaumn.edu üzerinde doğrulanmış e-posta adresine sahip
Yao-Yuan ChuangAssitant Professor of Applied Chemistry, National University of Kaohsiungnuk.edu.tw üzerinde doğrulanmış e-posta adresine sahip
Ahren JasperArgonne National Laboratoryanl.gov üzerinde doğrulanmış e-posta adresine sahip
Junwei Lucas BaoAssistant Professor, Chemistry Department, Boston Collegebc.edu üzerinde doğrulanmış e-posta adresine sahip
Steven L. MielkeUniversity of Minnesota, Department of Chemistryumn.edu üzerinde doğrulanmış e-posta adresine sahip
Donald KouriProfessor of Chemistry and Physics, University of Houstoncentral.uh.edu üzerinde doğrulanmış e-posta adresine sahip
Pragya VermaUniversity of Minnesotaumn.edu üzerinde doğrulanmış e-posta adresine sahip
Roberto PeveratiFlorida Institute of Technologyfit.edu üzerinde doğrulanmış e-posta adresine sahip
Zoltán VargaDepartment of Chemistry, University of Minnesotaumn.edu üzerinde doğrulanmış e-posta adresine sahip
Jingzhi Pu 濮憬智Associate Professor of Chemistry and Chemical Biology, IU Indianapolisiu.edu üzerinde doğrulanmış e-posta adresine sahip
Hannah LeverentzWinona State Universitywinona.edu üzerinde doğrulanmış e-posta adresine sahip
Dave GiesenSchrodinger, Inc.schrodinger.com üzerinde doğrulanmış e-posta adresine sahip
Jiabo LiChemXAI Incnielsen.com üzerinde doğrulanmış e-posta adresine sahip

Takip et

Donald Truhlar

University of Minnesota

umn.edu üzerinde doğrulanmış e-posta adresine sahip - Ana Sayfa

Chemistry Physics Computation


Başlık Alıntılara göre sırala Yıla göre sırala Başlığa göre sırala	Alıntı yapanlar Alıntı yapanlar	Yıl
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	29058	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	16013	2009
Density functionals with broad applicability in chemistry Y Zhao, DG Truhlar Accounts of chemical research 41 (2), 157-167, 2008	7491	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	5429	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	4021	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	3203	2015
Implicit solvation models: equilibria, structure, spectra, and dynamics CJ Cramer, DG Truhlar Chemical Reviews 99, 2161-2200, 1999	2874	1999
Current status of transition-state theory DG Truhlar, BC Garrett, SJ Klippenstein The Journal of physical chemistry 100 (31), 12771-12800, 1996	2392	1996
Variational transition-state theory DG Truhlar, BC Garrett Accounts of Chemical Research 13 (12), 440-448, 1980	1967*	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	1934	2013
Density functional theory for transition metals and transition metal chemistry CJ Cramer, DG Truhlar Physical Chemistry Chemical Physics 11 (46), 10757-10816, 2009	1897	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	1814	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	1779	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	1722	2005
Adiabatic connection for kinetics BJ Lynch, PL Fast, M Harris, DG Truhlar The Journal of Physical Chemistry A 104 (21), 4811-4815, 2000	1716	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	1593	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	1524	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	1467	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	1446	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	1349	2004

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