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Theoretical organic chemistry

Author: Cyril Párkányi
Publisher: Amsterdam [Netherlands] ; New York : Elsevier, 1998.
Series: Theoretical and computational chemistry, 5.
Edition/Format:   eBook : Document : EnglishView all editions and formats
Summary:
This volume is devoted to the various aspects of theoretical organic chemistry. In the nineteenth century, organic chemistry was primarily an experimental, empirical science. Throughout the twentieth century, the emphasis has been continually shifting to a more theoretical approach. Today, theoretical organic chemistry is a distinct area of research, with strong links to theoretical physical chemistry, quantum  Read more...
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Genre/Form: Electronic books
Additional Physical Format: Print version:
Theoretical organic chemistry.
Amsterdam [Netherlands] ; New York : Elsevier, 1998
(DLC) 97041024
(OCoLC)37837587
Material Type: Document, Internet resource
Document Type: Internet Resource, Computer File
All Authors / Contributors: Cyril Párkányi
ISBN: 9780444826602 0444826602 9780080542720 0080542727
OCLC Number: 162130641
Description: 1 online resource (xiv, 622 pages) : illustrations.
Contents: Theoretical organic chemistry : looking back in wonder / Jan J.C. Mulder --
Inter-relations between VB & MO theories for organic II-networks / D.J. Klein --
The use of the electrostatic potential for analysis and prediction of intermolecular interactions / Tore Brinck --
Exploring reaction outcomes through the reactivity-selectivity principle estimated by density functional theory studies / Branko S. Jursic --
A hardness and softness theory of bond energies and chemical reactivity / José L. Gázquez --
Molecular geometry as a source of chemical information for [pi]-electron compounds / Tadeusz Marek Krygowski, Michał Ksawery Cyrański --
Average local ionization energies : significance and applications / Jane S. Murray, Peter Politzer --
Intrinsic proton affinity of substituted aromatics / Zvonimir B. Maksić, Mirjana Eckert-Maksić --
Dipole moments of aromatic heterocycles / Cyril Párkányi, Jean-Jacques Aaron --
New developments in the analysis of vibrational spectra : on the use of adiabatic internal vibrational modes / Dieter Cremer, J. Andreas Larsson, Elfi Kraka --
Atomistic modeling of enantioselection : applications in chiral chromatography / Kenny B. Lipkowitz --
Theoretical investigation of carbon nets and molecules / Alexandru T. Balaban --
Protein transmembrane structure : recognition and prediction by using hydrophobicity scales through preference functions / Davor Juretić, Bono Lučić, Damir Zucić, Nenad Trinajstić --
Polycyclic aromatic hydrocarbon carcinogenicity : theoretical modelling and experimental facts / László von Szentpály, Ratna Ghosh --
Cycloaddition reactions involving heterocyclic compounds as synthons in the preparation of valuable organic compounds : an effective combination of a computational study and synthetic applications of heterocycle transformations / Branko S. Jursic --
Triplet photoreactions : structural dependence of spin-orbit coupling and intersystem crossing in organic biradicals / M. Klessinger.
Series Title: Theoretical and computational chemistry, 5.
Responsibility: edited by Cyril Párkányi.
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Abstract:

This volume starts with a detailed account of the historical development of the discipline of organic chemistry and discussion devoted to quantum chemistry, physical properties of organic compounds,  Read more...

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