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Benchmark databases for nonbonded interactions and their use to test density functional theory
Yan Zhao,
Donald G. Truhlar
Chemistry (Twin Cities)
Research output
:
Contribution to journal
›
Article
›
peer-review
829
Scopus citations
Overview
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Dive into the research topics of 'Benchmark databases for nonbonded interactions and their use to test density functional theory'. Together they form a unique fingerprint.
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Engineering & Materials Science
Density functional theory
85%
Discrete Fourier transforms
62%
Hydrogen bonds
31%
Charge transfer
29%
Binding energy
18%
Ladders
13%
Kinetic energy
12%
Medicine & Life Sciences
Density Functional Theory
100%
Benchmarking
62%
Databases
34%
Hydrogen Bonding
19%
Kinetics
5%
Physics & Astronomy
density functional theory
43%
interactions
22%
performance
20%
charge transfer
19%
dipoles
16%
hydrogen
14%
ladders
12%
functionals
10%
binding energy
9%
flux density
9%
kinetic energy
9%
Chemical Compounds
Density Functional Theory
35%
Charge Transfer Interaction
17%
Kinetic Energy
16%
Hydrogen
14%
Binding Energy
12%
Error
10%