Practical Aspects of Computational Chemistry IV
Springer-Verlag New York Inc.
978-1-4939-7953-0 (ISBN)
Prof. J Leszczynski - Series Editor of COCH, Prof. of Chem at Jackson State University Dr. Manoj Shukla, US Army Engineer, R&D Centre
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).
Erscheinungsdatum | 28.08.2018 |
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Zusatzinfo | 87 Illustrations, color; 55 Illustrations, black and white; VIII, 398 p. 142 illus., 87 illus. in color. |
Verlagsort | New York |
Sprache | englisch |
Maße | 155 x 235 mm |
Themenwelt | Naturwissenschaften ► Chemie ► Physikalische Chemie |
Technik ► Maschinenbau | |
Schlagworte | Computatinal Material Science • Computational Chemistry • Computational Nano • Current Trends in Computational Chemistry Conference • Electron Correlation Methods • Molecular Structure Determinations Modelling |
ISBN-10 | 1-4939-7953-1 / 1493979531 |
ISBN-13 | 978-1-4939-7953-0 / 9781493979530 |
Zustand | Neuware |
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