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Electrostatically embedded multiconfiguration molecular mechanics based on the combined density functional and molecular mechanical method
Masahiro Higashi,
Donald G. Truhlar
Chemistry (Twin Cities)
Research output
:
Contribution to journal
›
Article
›
peer-review
50
Scopus citations
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Engineering & Materials Science
Potential energy surfaces
100%
Molecular mechanics
96%
Electrostatics
64%
Density functional theory
29%
Electronic structure
29%
Charge distribution
29%
Enzymes
23%
Potential energy
22%
Chemical reactions
19%
Gases
11%
Chemical Compounds
Electrostatic Potential
62%
Molecular Mechanic
59%
Potential Energy Surface
57%
Bimolecular Reaction
24%
Aqueous Solution
20%
Potential Energy
20%
Electronic State
14%
Density Functional Theory
12%
Environment
11%
Gas
10%
Energy
9%
Physics & Astronomy
potential energy
51%
electrostatics
34%
aqueous solutions
27%
enzymes
16%
charge distribution
14%
chemical reactions
13%
vapor phases
12%
density functional theory
11%
electronic structure
11%
energy
4%