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Publicly Available Published by De Gruyter January 1, 2009

Quantum chemical and statistical-thermodynamic studies of equilibria and rates

  • R. Zahradnik
From the journal Pure and Applied Chemistry
https://doi.org/10.1351/pac198855020391
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Abstract

Conference

International Symposium on Theoretical Organic Chemistry, Dubrovnik, Croatia, Yugoslavia, 1982-08-30–1982-09-03

Published Online: 2009-01-01
Published in Print: 1983-01-01

© 2013 Walter de Gruyter GmbH, Berlin/Boston

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From the journal
Pure and Applied Chemistry
Pure and Applied Chemistry
Volume 55 Issue 2
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Journal and Issue

Articles in the same Issue

Preface
Bicyclo(6.2.0)decapentaene
Topological indices based on topological distances in molecular graphs
Topography of potential energy surfaces
On avoided crossing between molecular excited states; photochemical implications
Principles of a novel nomenclature of organic compounds
Applications of molecular orbital-valence bond theory in chemistry
Regio- and stereoselectivity in Diels-Alder reactions. Theoretical considerations
Twisted intramolecular charge transfer (TICT) excited states: energy and molecular structure
Theoretical vibrational spectra as a tool in the identification of unusual organic molecules
New experimental information from two-photon spectroscopy and comparison with theory
Revisit to the electron density, bond order, and aromaticity
Theoretical studies of the stereoselectivities of organic reactions
Evaluation of HOMO-LUMO separation and homologous linearity of conjugated molecules
Photoelectron spectra of acenes. Electronic structure and substituent effects
Valence bond theory for conjugated hydrocarbons
Variable hybridisation - a simple model of covalent bonding
Highly strained single and double bonds
Charge transfer transition for symmetry-forbidden charge transfer interaction. Theory and experimental verification
Aromatic photosubstitutions
Potential surfaces for simple rearrangements
On the role of kekule valence structures
Lithium synthetic reagents: dimerization and intramolecular association. Double bridging in "dianions"
The quinones of azulene. Experimental tests of theoretical predictions
Properties and reactions of unsaturated carbenes
The role of theory in teaching organic chemistry
Computer generation of isomeric structures
Quantum chemical and statistical-thermodynamic studies of equilibria and rates
Mechanistic investigations on reactions of molecular nitrogen with organic species
Revision of the extended Hantzsch-Widman system of nomenclature for heteromonocycles
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