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Including charge penetration effects in molecular modeling
Bo Wang,
Donald G. Truhlar
Chemistry (Twin Cities)
Research output
:
Contribution to journal
›
Article
›
peer-review
78
Scopus citations
Overview
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Chemical Compounds
Slater Type Orbital
72%
Molecular Modeling
59%
Error
49%
Charge Density
42%
Valence Electron Density
37%
Energy
31%
Atomic Number
27%
Nonmetal
27%
Perturbation Theory
25%
Electron Particle
23%
Noble Gas Atom
23%
Valence
19%
Intermolecular Force
19%
Orbital
18%
Molecule
7%
Engineering & Materials Science
Molecular modeling
100%
Electrostatics
70%
Charge density
36%
Electrons
26%
Nonmetals
21%
Coulomb interactions
20%
Charge distribution
19%
Carrier concentration
18%
Inert gases
15%
Atoms
13%
Molecules
12%
Costs
5%
Physics & Astronomy
penetration
53%
electrostatics
50%
induction
40%
orbitals
23%
interactions
17%
valence
16%
charge distribution
10%
rare gases
10%
electrons
9%
perturbation theory
9%
energy transfer
8%
costs
8%
nuclei
7%
energy
6%
symmetry
6%
molecules
5%
approximation
5%
electronics
5%
atoms
5%