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1988, Vol. 60, Issue 2

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

From Schrodinger to atoms in molecules
R. F. W. Bader
p. 145 [Details] [Full text - pdf 838 kB]
Overlap dispersion and overlap induction
N. D. Epiotis
p. 157 [Details] [Full text - pdf 487 kB]
Application of configuration interaction for the study of relativistic effects in atoms and molecules
R. J. Buenker and Praphull Chandra
p. 167 [Details] [Full text - pdf 597 kB]
Accurate computational prediction of molecular structure and spectra
J. E. Boggs
p. 175 [Details] [Full text - pdf 616 kB]
Multiply-charged cations: remarkable structures and stabilities
L. Radom, P. M. W. Gill, M. W. Wong and R. H. Nobes
p. 183 [Details] [Full text - pdf 414 kB]
New strained organic molecules: theory guides experiment
V. Balaji and J. Michl
p. 189 [Details] [Full text - pdf 457 kB]
Theoretical study of structure and reactions of metalated oximes and oxime ethers
Rainer Glaser and A. Streitwieser, Jr.
p. 195 [Details] [Full text - pdf 694 kB]
Theoretical study of acid-catalyzed hydration of ground and excited state acetylenes
K. Yates, Peter Martin and I. G. Csizmadia
p. 205 [Details] [Full text - pdf 177 kB]
Role of Rydberg radicals in electrochemistry
E. M. Evleth and Emil Kassab
p. 209 [Details] [Full text - pdf 471 kB]
Photochemistry of organometallics: potential energy surfaces and reaction mechanisms
A. Veillard, Chantal Daniel and A. Strich
p. 215 [Details] [Full text - pdf 454 kB]
Fundamental problems in the calculation of interaction potentials
R. McWeeny
p. 223 [Details] [Full text - pdf 804 kB]
Towards a unified view of the description of internal and external fields acting on chemical functional groups
Giuliano Alagona, Rosanna Bonaccorsi, Caterina Ghio, R. Montagnani and J. Tomasi
p. 231 [Details] [Full text - pdf 979 kB]
On the role of van der Waals interactions in organic chemistry
R. Zahradnik and Pavel Hobza
p. 245 [Details] [Full text - pdf 606 kB]
Calculation of the electronic structure of organic polymers as solids
J. J. Ladik
p. 253 [Details] [Full text - pdf 456 kB]
Molecular aspects of channel formation and ion transport through membranes
A. Pullman
p. 259 [Details] [Full text - pdf 402 kB]
Computer automated structure evaluation (CASE) of flavonoids as larval growth inhibitors
G. Klopman and R. E. Venegas
p. 265 [Details] [Full text - pdf 376 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 [Details] [Full text - pdf 355 kB]
Quantum chemistry in drug design
W. G. Richards
p. 277 [Details] [Full text - pdf 196 kB]