Theoretical Organic Chemistry

Content: 
Foreword
Page v
Cyril Párkányi

Acknowledgments
Page vi

Theoretical organic chemistry: Looking back in wonder Original Research Article
Pages 1-31
Jan J.C. Mulder

Inter-relations between VB & MO theories for organic II-networks Original Research Article
Pages 33-50
D.J. Klein

The use of the electrostatic potential for analysis and prediction of intermolecular interactions Original Research Article
Pages 51-93
Tore Brinck

Exploring reaction outcomes through the reactivity-selectivity principle estimated by density functional theory studies Original Research Article
Pages 95-133
Branko S. Jursic

A hardness and softness theory of bond energies and chemical reactivity Original Research Article
Pages 135-152
José L. Gázquez

Molecular geometry as a source of chemical information for π-electron compounds Original Research Article
Pages 153-187
Tadeusz Marek Krygowski, Michaκ Ksawery Cyrański

Average local ionization energies: Significance and applications Original Research Article
Pages 189-202
Jane S. Murray, Peter Politzer

Intrinsic proton affinity of substituted aromatics Original Research Article
Pages 203-231
Zvonimir B. Maksić, Mirjana Eckert-Maksić

Dipole moments of aromatic heterocycles Original Research Article
Pages 233-258
Cyril Párkányi, Jean-Jacques Aaron

New developments in the analysis of vibrational spectra On the use of adiabatic internal vibrational modes Original Research Article
Pages 259-327
Dieter Cremer, J. Andreas Larsson, Elfi Kraka

Atomistic modeling of enantioselection: Applications in chiral chromatography Original Research Article
Pages 329-379
Kenny B. Lipkowitz

Theoretical investigation of carbon nets and molecules Original Research Article
Pages 381-404
Alexandru T. Balaban

Protein transmembrane structure: recognition and prediction by using hydrophobicity scales through preference functions Original Research Article
Pages 405-445
Davor Juretić, Bono Lučić, Damir Zucić, Nenad Trinajstić

Polycyclic aromatic hydrocarbon carcinogenicity: Theoretical modelling and experimental facts Original Research Article
Pages 447-500
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 Original Research Article
Pages 501-579
Branko S. Jursic

Triplet photoreactions; Structural dependence of spin-orbit coupling and intersystem crossing in organic biradicals Original Research Article
Pages 581-610
M. Klessinger

Index
Pages 611-622