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 Pure Appl. Chem. Vol. 60, No. 2 (1988)

Pure and Applied Chemistry

Vol. 60, Issue 2

World Congress of Theoretical Organic Chemists

World Congress of Theoretical Organic Chemists, Budapest, Hungary, 12-19 August 1987

From Schrodinger to atoms in molecules
R. F. W. Bader
p. 145 [full text - pdf 839 kB]

Overlap dispersion and overlap induction
N. D. Epiotis
p. 157 [full text - pdf 488 kB]

Application of configuration interaction for the study of relativistic effects in atoms and molecules
R. J. Buenker and P. Chandra
p. 167 [full text - pdf 598 kB]

Accurate computational prediction of molecular structure and spectra
J. E. Boggs
p. 175 [full text - pdf 617 kB]

Multiply-charged cations: remarkable structures and stabilities
L. Radom, P. M. W. Gill, M. W. Wong and R. H. Nobes
p. 183 [full text - pdf 415 kB]

New strained organic molecules: theory guides experiment
V. Balaji and J. Michl
p. 189 [full text - pdf 458 kB]

Theoretical study of structure and reactions of metalated oximes and oxime ethers
R. Glaser and A. Streitwieser, Jr.
p. 195 [full text - pdf 695 kB]

Theoretical study of acid-catalyzed hydration of ground and excited state acetylenes
K. Yates, P. Martin and I. G. Csizmadia
p. 205 [full text - pdf 178 kB]

Role of Rydberg radicals in electrochemistry
E. M. Evleth and E. Kassab
p. 209 [full text - pdf 472 kB]

Photochemistry of organometallics: potential energy surfaces and reaction mechanisms
A. Veillard, C. Daniel and A. Strich
p. 215 [full text - pdf 455 kB]

Fundamental problems in the calculation of interaction potentials
R. McWeeny
p. 223 [full text - pdf 805 kB]

Towards a unified view of the description of internal and external fields acting on chemical functional groups
G. Alagona, R. Bonaccorsi, C. Ghio, R. Montagnani and J. Tomasi
p. 231 [full text - pdf 980 kB]

On the role of van der Waals interactions in organic chemistry
R.Zahradnik and P. Hobza
p. 245 [full text - pdf 607 kB]

Calculation of the electronic structure of organic polymers as solids
J. J. Ladik
p. 253 [full text - pdf 457 kB]

Molecular aspects of channel formation and ion transport through membranes
A. Pullman
p. 259 [full text - pdf 403 kB]

Computer automated structure evaluation (CASE) of flavonoids as larval growth inhibitors
G. Klopman and R. E. Venegas
p. 265 [full text - pdf 377 kB]

Estimation of thermodynamic and spatial properties of organic compounds for quantitative molecular design
A. J. Hopfinger, R. A. Pearlstein, M. Mabilia and S. K. Tripathy
p. 271 [full text - pdf 356 kB]

Quantum chemistry in drug design
W. G. Richards
p. 277 [full text - pdf 197 kB]

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