Modeling the Hydrogen Bond

Introduction: a brief history of the hydrogen bond, Douglas A. Smith. Part 1 Solvent and molecular electrostatic potential effects: computation of intermolecular interactions with a combined quantum mechanical and classical approach, Jiali Gao; inclusion of explicit solvent molecules in a self-consistent-reaction field model of solvation, T.A. Keith and M.J. Frisch; effect of hydrogen bonding on molecular electrostatic potential, M. Dominic Ryan; competing intra- and intermolecular hydrogen bonds for organic solutes in aqueous solution, Peter I. Nagy et al. Part 2 Theoretical methods and graphical analysis: energetics and structure in model neutral, anionic and cationic hydrogen-bonded complexes - combined ab initio SCF/MP2 supermolecular, density functional and molecular mechanics investigation, Nohad Gresh et al; SAM1 - general description and performance evaluation for hydrogen bonds, Steve Scheiner and Earl M. Evleth; search for analytical functions to simulate proton transfers in hydrogen bonds, Steve Scheiner and Xiaofeng Duan; effective fragment method for modeling intermolecular hydrogen-bonding effects on quantum mechanical calculations, Jan H. Jensen et al; modeling the hydrogen bond with transferable atom equivalents, Curt M. Breneman et al; analysis of hydrogen bonding and stability of protein secondary structures in molecular dynamics simulation, S. Vijayakumar et al; unusual cross-strand hydrogen bonds in oligopurine.oligopyrimidine duplexes - computer graphics presentations of hydrogen bonds in DNA molecular dynamics simulation, Masayuki Shibata and Theresa Julia Zielinski; STRIPS - an algorithm for generating two-dimensional hydrogen-bond topology diagrams for proteins, G. Ravishanker et al. Part 3 Applications to molecules and polymers. (Part contents)