Tabla de materias
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 Al2O3.- Development of the Latest Tools for Building up “Nano-QSAR”: Quantitative Features – Property / Activity Relationships (QFPRs/QFARs).
Sobre el autor
Prof. J Leszczynski – Series Editor of COCH, Prof. of Chem at Jackson State UniversityDr. Manoj Shukla, US Army Engineer, R&D Centre