Practical Aspects of Computational Chemistry IV

Relativistic Effects and Quantum Electrodynamics in Chemistry .- How Can One Locate the Global Energy Minimum for Hydrogen-bonded Clusters? .- Optical Parameters of p-Conjugated Oligomer Chains from the Semiempirical Local Coupled-Cluster Theory .- A Critical Look at Methods for Calculating Charge Transfer Couplings Fast and Accurately .- Methods for Computing ro-Vibrational Energy Levels .- Effectively Unpaired Electrons for Singlet States: from Diatomics to Graphene Nanoclusters.-Assembly of Carbon-based Nanodevices .- Computational Mechanochemistry .- Hydrogen Bond and Other Lewis Acid - Lewis Base Interactions - Mechanisms of Formation .- Iodine Contained Drugs: Complexes of Molecular Iodine and Tri-iodide with Bioorganic Ligands and Lithium Halogenides in Aqueous Solutions .- Detailed Atomistic Modeling of Si(110) Passivation by Atomic Layer Deposition of Al ₂ O ₃ .- Development of the Latest Tools for Building up "Nano-QSAR": Quantitative Features - Property / Activity Relationships (QFPRs/QFARs) .