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Introduction to Molecular Mechanics by C. David Sherrill(PDF 43p)

Introduction to Molecular Mechanics by C. David Sherrill(PDF 43p)

Introduction to Molecular Mechanics by C. David Sherrill(PDF 43p)

This note covers the following topics: Stretching Interactions, The Force-Field, Stretch Energy, Bend Energy, Torsional Energy, van der Waals Energy, Electrostatic Energy, Fitting Atomic Charges, The Fluctuating Charge Model, Other Polarizable Models, Parameterizing the Force Fields and Heats of Formation.

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s43 Pages
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Introduction to Molecular Mechanics by C. David Sherrill(PDF 43p)

Introduction to Molecular Mechanics by C. David Sherrill(PDF 43p)

This note covers the following topics: Stretching Interactions, The Force-Field, Stretch Energy, Bend Energy, Torsional Energy, van der Waals Energy, Electrostatic Energy, Fitting Atomic Charges, The Fluctuating Charge Model, Other Polarizable Models, Parameterizing the Force Fields and Heats of Formation.

s43 Pages