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Analytical and Parameter-Free Hückel Theory Made Possible for Symmetric H
x
Clusters
Alexander V. Mironenko
Chemical and Biomolecular Engineering
Chemistry
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Dive into the research topics of 'Analytical and Parameter-Free Hückel Theory Made Possible for Symmetric H
x
Clusters'. Together they form a unique fingerprint.
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Keyphrases
Mean Absolute Error
100%
Polygon
100%
Density Functional Theory
100%
Tight-binding
100%
Bond Formation
100%
Quantum Chemical Calculations
100%
Parameter-free
100%
Edge Length
100%
Bond Breaking
100%
Energy Minimum
100%
Chemical Bond
100%
Mathematical Framework
100%
Generalized Gradient Approximation
100%
Mathematical Form
100%
Bond-order Potentials
100%
Correlated Electrons
100%
Gilbert
100%
Reactive Potential
100%
Localized Orbitals
100%
Spin multiplicity
100%
Many-electron Atom
100%
Semi-empirical Tight-binding
100%
Tight-binding Potential
100%
Chemistry
Energetics
100%
Ground State
50%
Quantum Chemistry
50%
Density Functional Theory
50%
Chemical Bond
50%
Generalized Gradient Approximation
50%
Bond Order
50%