This note covers the
following topics: steric energy, enthalpy of formation, comparing steric
energies, energy minimization, molecular dynamics, distance geometry and d to d
model conversion, free energy perturbation theory (FEP), continuum solvation
electrostatics, normal mode analysis, partial atomic charges.
Author(s): Thomas
W. Shattuck, Department of Chemistry, Colby College
This note explains the
following topics:The Interaction between two Molecules, Interaction of
Macroscopic Bodies, The Effective Interaction between two Molecules,
Electrostatic Forces.
Recent evolutions in nanosciences and
nanotechnologies provide strong arguments to support the opportunity and
importance of the topics approached in this book, the fundamental and
applicative aspects related to molecular interactions being of large interest in
both research and innovative environments. We expect this book to have a strong
impact at various education and research training levels, for young and
experienced researchers from both academia and industry.