Practical Aspects of Computational Chemistry IV

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, Slawomir 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 Al 2 O 3, 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. Veselinovic, Jovana B. Veselinovic, Danuta
Leszczynska and Jerzy Leszczynski.