Table of Content
Relativistic Effects and Quantum Electrodynamics in Chemistry, Maria Barysz.- How Can One Locate the Global Energy Minimum for Hydrogen-bonded Clusters?, Sergey Kazachenko and Ajit J. Thakkar.- Optical Parameters of p-Conjugated Oligomer Chains from the Semiempirical Local Coupled-Cluster Theory, Anton B. Zakharov, Vladimir V. Ivanov and Ludwik Adamowicz.- A Critical Look at Methods for Calculating Charge Transfer Couplings Fast and Accurately, Pablo Ramos, Marc Mankarious and Michele Pavanello.- Methods for Computing ro-Vibrational Energy Levels, Tucker Carrington Jr.- Effectively Unpaired Electrons for Singlet States: from Diatomics to Graphene Nanoclusters, A.V. Luzanov.- In Silico Assembly of Carbon-based Nanodevices, Alfredo D. Bobadilla and Jorge M. Seminario.- Computational Mechanochemistry, Przemyslaw Dopieralski and Zdzislaw Latajka.- Hydrogen Bond and Other Lewis Acid – Lewis Base Interactions – Mechanisms of Formation, Sławomir J. Grabowski.- Iodine Contained Drugs: Complexes of Molecular Iodine and Tri-iodide with Bioorganic Ligands and Lithium Halogenides in Aqueous Solutions, Gulnara A. Yuldasheva, Georgii M. Zhidomirov, Jerzy Leszczynski and Aleksandr I. Ilin.- Detailed Atomistic Modeling of Si(110) Passivation by Atomic Layer Deposition of Al2O3, Andrey A. Rybakov, Alexander V. Larin, Daniel P. Vercauteren and Georgy M. Zhidomirov.- Development of the Latest Tools for Building up “Nano-QSAR”: Quantitative Features – Property / Activity Relationships (QFPRs/QFARs) , Andrey A. Toropov, Alla P. Toropova, Karel Nesmerak, Aleksandar M. Veselinović, Jovana B. Veselinović, Danuta Leszczynska and Jerzy Leszczynski.
About the author
Prof. J Leszczynski – Series Editor of COCH, Prof. of Chem at Jackson State UniversityDr. Manoj Shukla, US Army Engineer, R&D Centre