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Projected hybrid orbitals: A general QM/MM Method
Yingjie Wang,
Jiali Gao
Chemistry (Twin Cities)
Research output
:
Contribution to journal
›
Article
›
peer-review
23
Scopus citations
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Keyphrases
Quantum Mechanical
100%
Mechanical Method
100%
Hybrid Orbitals
100%
Electronic Properties
20%
Density Functional Theory
20%
Mechanical Systems
20%
Structural Properties
20%
Electronic Interaction
20%
Electron-withdrawing
20%
Wavefunction Theory
20%
Orbital Approach
20%
QM Calculation
20%
Hybrid Quantum
20%
Engineering
Mechanical Systems
100%
Good Approximation
100%
Dependent System
100%
Covalent
100%
Electronic Balance
100%
Mathematics
Density Functional
100%
wavefunction ψ
100%
Good Approximation
100%
Material Science
Density
100%
Electronic Property
100%
Physics
Wave Function
100%
Density Functional Theory
100%
Chemistry
Hybrid Orbital
100%
Density Functional Theory
20%
Electronic Property
20%
Wave Function Theory
20%
electronics
20%