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Introduction
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An electron force field
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Contents
Development of an electron force field. II. New treatment of p-like electrons, resulting in improved accuracy for first-row atoms, atom hydrides, and hydrocarbons
Subsections
Introduction
Methods
Energy expression
Explanation of the energy expressions
Results and discussion
Atom ionization potentials and polarizabilities
Atom hydrides
Carbon-carbon single and multiple bonds
Heteroatoms single and multiple bonds
Van der Waals dimers and hydrogen bonds
Too-small sterics cause other problems
Conclusion
Supplemental tables
Julius 2008-04-29
