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Ab Initio vs Molecular Mechanics Thermochemistry: Homocubanes
Igor Novak
Science and Health
Agricultural, Environmental and Veterinary Sciences
Research output
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Contribution to journal
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Article
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peer-review
12
Citations (Scopus)
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Chemistry
Molecular Mechanic
100%
Concentration
100%
Procedure
100%
Compound Isomer
50%
Strain Energy
50%
Enthalpy of Formation
50%
DFT-B3LYP Calculation
50%
Molecule
50%
Møller-Plesset Perturbation Theory
50%
Physics
Thermochemistry
50%
Performance
50%
Calculation
50%
Molecules
50%
Engineering
Relative Stability
50%
Strain Energy
50%
Performance
50%
Formation Energy
50%
Material Science
Isomer
50%