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On the construction of diabatic and adiabatic potential energy surfaces based on ab initio valence bond theory
Lingchun Song,
Jiali Gao
Chemistry (Twin Cities)
Research output
:
Contribution to journal
›
Article
›
peer-review
59
Scopus citations
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Dive into the research topics of 'On the construction of diabatic and adiabatic potential energy surfaces based on ab initio valence bond theory'. Together they form a unique fingerprint.
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Chemical Compounds
Adiabatic Potential
100%
Valence Bond Calculation
91%
Potential Energy Surface
60%
Molecular Orbital
43%
Valence
42%
Ground State
37%
Energy
30%
Orbital
26%
Field Theory
21%
Resonance Energy
20%
Hamiltonian
18%
Molecular Geometry
17%
Transition State
13%
Simulation
10%
Physics & Astronomy
potential energy
54%
valence
46%
configurations
34%
molecular orbitals
31%
ground state
15%
energy
11%
coefficients
8%
chemical reactions
7%
orbitals
5%
optimization
5%
geometry
4%
simulation
3%