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Energy decomposition analysis of covalent bonds and intermolecular interactions
Peifeng Su, Hui Li
Chemistry
Research output
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Contribution to journal
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Article
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peer-review
920
Scopus citations
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Dive into the research topics of 'Energy decomposition analysis of covalent bonds and intermolecular interactions'. Together they form a unique fingerprint.
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Keyphrases
Hartree-Fock
100%
Exchange Repulsion
50%
Ammonium Fluoride
50%
Open-shell
50%
Hartree-Fock Method
50%
Hydrogen-rich Water
25%
Internal Rotation Barrier
25%
Kohn-Sham
25%
Dispersion Term
25%
Hydrogen Fluoride
25%
Wave Function
25%
Supermolecule
25%
Water Fluoride
25%
Exchange Term
25%
Covalent Bond Formation
25%
Cu Ligand
25%
Dispersion Energy
25%
Coordination Bond
25%
Ammonia Water
25%
Chemistry
Restricted Open-Shell Hartree-Fock
33%
Hydrogen Fluoride
33%
Ammonium Fluoride
33%
Barrier of Internal Rotation
33%
Restricted open-shell Hartree-Fock calculation
33%