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 Pure Appl. Chem. Vol. 61, No. 12 (1989)

Pure and Applied Chemistry

Vol. 61, Issue 12


International Symposium on the Electronic Structure and Properties of Molecules and Crystals

IUPAC Recommendations on Nomenclature and Symbols and Technical Reports from Commissions



International Symposium on the Electronic Structure and Properties of Molecules and Crystals, Dubrovnik-Cavtat, Yugoslavia, 29 August-3 September 1988

Preface
Z. B. Maksic
p. iv [full text - pdf 69 kB]

On the long way from the Coulombic Hamiltonian to the electronic structure of molecules
P.-O. Lowdin
p. 2065 [full text - pdf 794 kB]

New basis sets in quantum mechanics of molecules: Hermite-Gaussian functions
Z. B. Maksic, K. Kovacevic and M. Primorac
p. 2075 [full text - pdf 755 kB]

Valence bond theory: A tribute to the pioneers of 1927-1935
R. McWeeny
p. 2087 [full text - pdf 721 kB]

Ab initio heats of formation of medium-sized hydrocarbons-10: Studies of barrelene and related compounds
J. M. Schulman, M. A. Miller and R. L. Disch
p. 2103 [full text - pdf 272 kB]

Foundations of conjugated circuit models
D. J. Klein and N. Trinajstic
p. 2107 [full text - pdf 567 kB]

Electronic states and magnetic circular dichroism of cyclic p systems with antiaromatic perimeters
U. Howeler, P. S. Chatterjee, K. A. Klingensmith, J. Waluk and J. Michl
p. 2117 [full text - pdf 1901 kB]

Vibrational spectra of trans-N-benzylideneaniline and its isotopomers
Z. Meic and G. Baranovic
p. 2129 [full text - pdf 634 kB]

Photoelectron spectra, electronic structure and long-range electronic interaction in some steroids
T. Cvitas, B. Kovac, Lj. Pasa-Tolic, B. Ruscic, L. Klasinc, J. V. Knop, N. S. Bhacca and S. P. McGlynn
p. 2139 [full text - pdf 652 kB]

Angular momentum coupling in molecular Rydberg states
J. A. Dagata, L. Klasinc and S. P. McGlynn
p. 2151 [full text - pdf 565 kB]

Tight-binding theory of molecules and solids
W. A. Harrison
p. 2161 [full text - pdf 598 kB]

The nature of metals
L. Pauling
p. 2171 [full text - pdf 384 kB]

Quantum chemical modeling of some biological mechanisms involving proton transfer
D. Hadzi
p. 2175 [full text - pdf 635 kB]

Some comments on the present situation of quantum chemistry in view of the discussions at the Dubrovnik workshop on the electronic structure of molecules
P.-O. Lowdin
p. 2185 [full text - pdf 753 kB]

IUPAC Recommendations on Nomenclature and Symbols and Technical Reports from Commissions

Recommendation for EPR/ESR nomenclature and conventions for presenting experimental data in publications (Recommendations 1989)
Commission on Molecular Structure and Spectroscopy
H. Kon
p. 2195 [full text - pdf 436 kB]


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