Donald G. Truhlar

225.8k citations
1.5k papers · 189.5k · 67 hit papers · h-index 175

Impact in

Papers in

Donald G. Truhlar

1.5k papers receiving 186.4k citations

Donald G. Truhlar's Hit Papers

Status and Challenges of Density Functional Theory 2020 · 310 citations
3100+5+10Years since publication4008001.2k

Peers

Donald G. Truhlar
Comparison fields: 5 of 195
  • Physical and Theoretical Chemistry 29.2k
  • Atomic and Molecular Physics, and Optics 84.1k
  • Organic Chemistry 56.6k
  • Inorganic Chemistry 25.1k
  • Catalysis 12.3k
Replace Axel D. Becke with:
Axel D. Becke Canada
John A. Pople United States
Weitao Yang United States
Stefan Grimme Germany
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Citations per year

Countries citing papers authored by Donald G. Truhlar

Since Specialization
Citations

This map shows the geographic impact of Donald G. Truhlar's research. It shows the number of citations coming from papers published by authors working in each country. You can also color the map by specialization and compare the number of citations received by Donald G. Truhlar with the expected number of citations based on a country's size and research output (numbers larger than one mean the country cites Donald G. Truhlar more than expected).

Fields of papers citing papers by Donald G. Truhlar

Since Specialization
Physical SciencesHealth SciencesLife SciencesSocial Sciences

This network shows the impact of papers produced by Donald G. Truhlar. Nodes represent research fields, and links connect fields that are likely to share authors. Colored nodes show fields that tend to cite the papers produced by Donald G. Truhlar. The network helps show where Donald G. Truhlar may publish in the future.

Co-authors

The 25 scholars most cited alongside Donald G. Truhlar, linked wherever they have co-authored with each other. Click a name or a connecting line to browse the papers they share.

Border = papers with Donald G. Truhlar Line = papers co-authored together Donald G. Truhlar links everyone, so they are left out of the graph.

All Works

20 of 20 papers shown

Showing the 20 most-cited of 1.5k papers — load more, or switch the sort, to bring in the rest.

#Work
1
The M06 suite of density functionals for main group thermochemistry, thermochemical kinetics, noncovalent interactions, excited states, and transition elements: two new functionals and systematic testing of four M06-class functionals and 12 other functionals
Hit paper breakdown →
200726078
2
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
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200914540
3
Density Functionals with Broad Applicability in Chemistry
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20086408
4
A new local density functional for main-group thermochemistry, transition metal bonding, thermochemical kinetics, and noncovalent interactions
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20064459
5
Design of Density Functionals by Combining the Method of Constraint Satisfaction with Parametrization for Thermochemistry, Thermochemical Kinetics, and Noncovalent Interactions
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20063366
6
Implicit Solvation Models:  Equilibria, Structure, Spectra, and Dynamics
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19992057
7
Current Status of Transition-State Theory
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19961926
8
Consistent van der Waals Radii for the Whole Main Group
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20091537
9
Design of Density Functionals That Are Broadly Accurate for Thermochemistry, Thermochemical Kinetics, and Nonbonded Interactions
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20051509
10
Chemical Applications of Atomic and Molecular Electrostatic Potentials
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19811464
11
Hybrid Meta Density Functional Theory Methods for Thermochemistry, Thermochemical Kinetics, and Noncovalent Interactions:  The MPW1B95 and MPWB1K Models and Comparative Assessments for Hydrogen Bonding and van der Waals Interactions
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20041443
12
Adiabatic Connection for Kinetics
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20001422
13
Density functional theory for transition metals and transition metal chemistry
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20091410
14
Computational Thermochemistry: Scale Factor Databases and Scale Factors for Vibrational Frequencies Obtained from Electronic Model Chemistries
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20101354
15
Variational transition-state theory
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19801217
16
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 for Ground States
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20061177
17
QM/MM: what have we learned, where are we, and where do we go from here?
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20061063
18
MN15: A Kohn–Sham global-hybrid exchange–correlation density functional with broad accuracy for multi-reference and single-reference systems and noncovalent interactions
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20161050
19
Exploring the Limit of Accuracy of the Global Hybrid Meta Density Functional for Main-Group Thermochemistry, Kinetics, and Noncovalent Interactions
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20081030
20
Exchange-correlation functional with broad accuracy for metallic and nonmetallic compounds, kinetics, and noncovalent interactions
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20051012

About Donald G. Truhlar

Donald G. Truhlar is a scholar working on Atomic and Molecular Physics, and Optics, Spectroscopy, Materials Chemistry, Physical and Theoretical Chemistry and Organic Chemistry, having authored 1.5k papers that have together received 189.5k indexed citations. Recurring topics across this work include Advanced Chemical Physics Studies (962 papers), Spectroscopy and Quantum Chemical Studies (533 papers), Quantum, superfluid, helium dynamics (204 papers), Photochemistry and Electron Transfer Studies (133 papers), Atomic and Molecular Physics (130 papers), Free Radicals and Antioxidants (122 papers), Machine Learning in Materials Science (118 papers) and Spectroscopy and Laser Applications (115 papers). The work is most often cited by research in Physical and Theoretical Chemistry (29.2k citations), Atomic and Molecular Physics, and Optics (84.1k citations), Organic Chemistry (56.6k citations), Inorganic Chemistry (25.1k citations) and Catalysis (12.3k citations). Donald G. Truhlar has collaborated with scholars based in United States, China and Spain. Frequent co-authors include Yan Zhao, Christopher J. Cramer, Aleksandr V. Marenich, Bruce C. Garrett, Jingjing Zheng, Nathan E. Schultz, Benjamin J. Lynch, Roberto Peverati, Jiali Gao and David W. Schwenke. Their work appears in journals such as The Journal of Chemical Physics, Journal of Chemical Theory and Computation, The Journal of Physical Chemistry A, Journal of the American Chemical Society and The Journal of Physical Chemistry.

Rankless uses publication and citation data sourced from OpenAlex, an open and comprehensive bibliographic database. While OpenAlex provides broad and valuable coverage of the global research landscape, it—like all bibliographic datasets—has inherent limitations. These include incomplete records, variations in author disambiguation, differences in journal indexing, and delays in data updates. As a result, some metrics and network relationships displayed in Rankless may not fully capture the entirety of a scholar's output or impact.

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