引用次数
引用: 235,897
H-指数: 196
I10-指数 : 1,399
出版物: 2,319
Multilevel methods for thermochemistry and thermochemical kinetics
Benjamin J. Lynch , Donald G. Truhla
ACS symposium series 958 153 -167
1
2007
Dynamical bottlenecks and semiclassical tunneling paths for chemical reactions
G. Truhlar , Bruce C. Garrett
Journal de Chimie Physique 84 365 -369
36
1987
Computational Drug-Design Workshop
Donald G. Truhlar
computational science and engineering 4 ( 4) 84 -87
1997
New time-dependent and time-independent computational methods for molecular collisions
Donald G. Truhlar , Richard C. Mowrey , David W. Schwenke , Donald J. Kouri
on Mathematical frontiers in computational chemical physics 15 207 -243
1
1988
Chemical Applications of Atomic and Molecular Electrostatic Potentials: "Reactivity, Structure, Scattering, And Energetics Of Organic, Inorganic, And Biological Systems"
Donald G. Truhlar , Peter Politzer
56
2013
Perspectives on Theoretical Chemistry : Five Decades of Theoretical Chemistry Accounts and Theoretica Chimica Acta
Donald G. Truhlar , Christopher J. Cramer
Springer-Verlag
2012
Monte carlo methods in chemical physics
J. Ilja Siepmann , Donald G. Truhlar , David M. Ferguson
Wiley
41
1999
SEMICLASSICAL STUDY OF THE PHOTODISSOCIATION DYNAMICS OF VIBRATIONALLY EXCITED NH$_3$(\ A) MOLECULES
Donald G. Truhlar , David Bonhommeau
Ohio State University
2008
THE ORETICAL CALCULATIONS OF THE $H + Br_{2}$ REACTION SURFACE
Donald G. Truhlar , Luis R. Kahn , Paul Baybutt , Frank W. Bobrowicz
Ohio State University
1975
Quantum catalysis: The modeling of catalytic transition states
Gabor Náray-Szabó , Arieh Warshel , Peter Margl , Donald G. Truhlar
ACS Symposium Series 721 2 -17
3
1999
The quantum dynamics of electronically nonadiabatic chemical reactions
Donald G. Truhlar
Final Technical Report Minnesota Univ
1993
Localized basis functions and other computational improvements in variational nonorthogonal basis function methods for quantum mechanical scattering problems involving chemical reactions
Donald G. Truhlar , David W. Schwenke
Computing Methods in Applied Sciences and Engineering 291 -310
2
1990
Variational transition-state theory and multidimensional tunneling for simple and complex reactions in the gas phase, solids, liquids, and enzymes
Donald G. Truhlar
ChemInform 37 ( 42) 579 -619
18
2005
Variational Transition State Theory
Donald G. Truhlar , Bruce C. Garrett
Annual Review of Physical Chemistry 35 ( 1) 159 -189
1,075
1984
SMx Continuum Models for Condensed Phases
Donald G. Truhlar , Christopher J. Cramer
31
2006
Multiconfiguration Pair-Density Functional Theory.
Donald G. Truhlar , Jie J. Bao , Laura Gagliardi , Prachi Sharma
Annual Review of Physical Chemistry 72 ( 1) 541 -564
2021
NON-BORN-OPPENHEIMER CHEMISTRY: POTENTIAL SURFACES, COUPLINGS, AND DYNAMICS
Donald G. Truhlar , Brian K. Kendrick , Ahren W. Jasper , C. Alden Mead
8
2004
Hydrocarbon oxidation reactivity in iron metal-organic frameworks
Donald G. Truhlar , Wendy Queen , Eric D. Bloch , Jeffrey R. Long
Abstracts of Papers, 249th ACS National Meeting & Exposition, Denver, CO, United States, March 22-26, 2015
2015
Thermochemistry, solvation, and dynamics
Orlando Roberto-Neto , Derek Dolney , Donald G. Truhlar , Yao Yuan Chuang
ACS Division of Fuel Chemistry, Preprints 44 ( 3) 452 -458
1999
Computational study of the reactions of methanol with the hydroperoxyl and methyl radicals
Donald G. Truhlar , Ionut M. Alecu
ACS National Meeting Book of Abstracts
3
2010