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Density functionals with broad applicability in chemistry
Yan Zhao,
Donald G. Truhlar
Chemistry (Twin Cities)
Research output
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Contribution to journal
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Article
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peer-review
5822
Scopus citations
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Chemistry
Chemistry
100%
Transition Element
85%
Electron Spin
71%
Thermochemistry
57%
Energy
42%
Group
42%
Electron Correlation Energy
42%
Chemical Reaction
28%
Chemical Kinetics Characteristics
28%
Main Group Chemistry
28%
DFT-B3LYP Calculation
28%
Alkane
14%
Application
14%
Catalyst
14%
Excited State
14%
Chemical Bond
14%
Alkene
14%
Density Functional Theory
14%
Charge Transfer
14%
Error
14%
Ground State
14%
Electronic Excitation
14%
Isomerization
14%
Electron Density
14%
Dissociation Energy
14%
Hybrid Functionals
14%
Computational Chemistry
14%
Ruthenium
14%
Electron Gas
14%
Metathesis
14%
Kinetic Energy
14%
Organic Metal
14%