Practical Aspects of Computational Chemistry

• Efficient and Accurate Electron Propagator Methods and Algorithms.- Properties of Excited States of Molecules in Solution Described with Continuum Solvation Models.- Chirality and Chiral Recognition.- Multiscale Modeling: A Review.- Challenging the Multiple Minima Problem: Example of Protein Folding.- An Overview of ?-Hole Bonding, an Important and Widely-Occurring Noncovalent Interaction.- ?-Bond Prevents Short ?-Bonds: A Detailed Theoretical Study on the Compounds of Main Group and Transition Metal Complexes.- QSAR Models for Regulatory Purposes: Experiences and Perspectives.- Quantitative Structure–Activity Relationships (QSARs) in the European REACH System: Could These Approaches be Applied to Nanomaterials?.- Structure–Activity Relationships in Nitro-Aromatic Compounds.- Molecular Modeling as an Auxiliary Method in Solving Crystal Structures Based on Diffraction Techniques.- Dihydrogen Bonds: Novel Feature of Hydrogen Bond Interactions.- Catalytic Decomposition of Organophosphorus Compounds.- Toward Understanding of Hydrogen Storage in Single-Walled Carbon Nanotubes by Investigations of Chemisorption Mechanism.- Quantum Monte Carlo for Electronic Structure.- Sequential Monte Carlo and Quantum Mechanics Calculation of the Static Dielectric Constant of Liquid Argon.- CO2(aq) Parameterization Through Free Energy Perturbation/Monte Carlo Simulations for Use in CO2 Sequestration.- Free Energy Perturbation Monte Carlo Simulations of Salt Influences on Aqueous Freezing Point Depression.- The Potential Energy Shape for the Proton Motion in Protonated Naphthalene Proton Sponges (DMAN-s) and its Manifestations.- Nucleic Acid Base Complexes: Elucidation of the Physical Origins of Their Stability.- Conformational Flexibility of Pyrimidine Ring in Nucleic Acid Bases.-DNA Lesions Caused by ROS and RNOS: A Review of Interactions and Reactions Involving Guanine.- Stability and Structures of the DNA Base Tetrads: A Role of Metal Ions.

From the reviews: "This well-referenced work, edited by Leszczynski and Shukla (both, Jackson State Univ.), is considered a special issue of Annals - The European Academy of Sciences. ... The book is divided into 23 chapters and covers a broad range of topics in the field. ... Summing Up: Recommended. Upper-division undergraduate through professional collections." (A. Viste, Choice, Vol. 47 (11), July, 2010)