Practical aspects of computational chemistry IV [electronic resource] / Jerzy Leszczynski, Manoj K. Shukla, editors.
Leszczynski, Jerzy, 1949- editor.; Shukla, Manoj, editor.
2016
QD455.3.E4
Available Online

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Title Practical aspects of computational chemistry IV [electronic resource] / Jerzy Leszczynski, Manoj K. Shukla, editors.
ISBN 1489976973
9781489976970
9781489976994 (electronic book)
148997699X (electronic book)
Published New York : Springer, [2016]
Copyright ©2016
Language English
Description 1 online resource (viii, 398 pages).
Call Number QD455.3.E4
Dewey Decimal Classification 541.0285
542.85
Summary The editors of this volume have compiled an important book that is a useful vehicle for important computational research - in the development of theoretical methodologies and their practical applications. Themes include new methodologies, state-of-the-art computational algorithms and hardware as well as new applications. This volume, Practical Aspects of Computational Chemistry IV, is part of a continuous effort by the editors to document recent progress made by eminent researchers. Most of these chapters have been collected from invited speakers from the annual international meeting: "Current Trends in Computational Chemistry" organized by Jerzy Leszczynski, one of the editors of the current volume. This conference series has become an exciting platform for eminent Theoretical/Computational Chemists to discuss their recent findings and is regularly honored by the presence of Nobel laureates. Certainly, it is not possible to cover all topics related to the Computational Chemistry in a single volume but we hope that the recent contributions in the latest volume of this collection adequately highlight this important scientific area.
Bibliography, etc. Note Includes bibliographical references and index.
Access Note Access limited to authorized users.
Source of Description Description based on print version record.
Added Author Leszczynski, Jerzy, 1949- editor.
Shukla, Manoj, editor.
Available in Other Form Practical aspects of computational chemistry IV.
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All Resources
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).

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