- ISSN 0010-0765 printed
- ISSN 1212-6950 electronic
1988, Volume 53, Issue 9
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pp. 1873-1880
William H. Miller A new variational expression for the scattering matrix -
pp. 1881-1889
Tokio Yamabe, Shoji Yamashita, Hiroko Yamabe, Kenichi Fukui and Kazuyoshi Tanaka Electronic structures of electrically conductive fragment models in pyrolyzed polymers -
pp. 1890-1901
Jean-Louis Calais Bloch and Wannier functions in momentum space -
pp. 1902-1909
Makoto Takahashi, Tadaaki Ikoma, Yuichi Fujimura, Azumao Toyota and Takeshi Nakajima Theory of nonradiative decay from the lowest singlet state of benzene: Excess energy dependence -
pp. 1910-1918
Jiří Čížek and Francine Vinette The application of inner projection technique to many electron systems as compared with the coupled cluster expansion. A study of the Pariser-Parr-Pople model of the benzene molecule -
pp. 1919-1942
Josef Paldus, Paul E. S. Wormer and Marc Benard Coupled-pair theories and Davidson-type corrections for quasidegenerate states: The H4 model revisited -
pp. 1943-1945
Pavel Hobza and Camille Sandorfy On the change of the order od stability of DNA base pairs as a result of the methylation of guanine -
pp. 1946-1952
Christopher-Maria Liegener, Rung Shen Chen, Peter Otto and Janos Ladik Effects of hydration and stacking interactions on the electronic structure of DNA models -
pp. 1953-1960
Ulf Landscheid and Werner Kutzelnigg On the accuracy of conventional calculations of potential energy surfaces -
pp. 1961-1980
Andrew Streitwieser, Jr. and Erich R. Vorpagel Electron density analysis of substituent effects in substituted benzenes -
pp. 1981-1988
B. Andes Hess, Jr., Jiani Hu, Lawrence J. Schaad and Petr Čársky The computation of vibrational spectra of triplet species -
pp. 1989-1994
Stefan Gerber and Hanspeter Huber The sulfur dioxide-hydrogen fluoride complex. Additional information to the experiment from ab initiocalculations -
pp. 1995-2016
Andrzej J. Sadlej Medium-size polarized basis sets for high-level correlated calculations of molecular electric properties -
pp. 2017-2022
Rezsö Gáspár and Ágnes Nagy Electronegativities of diatomic molecules calculated by the Xα method with a self-consistent parameter α using the principle of electronegativity equalization -
pp. 2023-2054
Milan Randić, Sonja Nikolić and Nenad Trinajstić Aromaticity in heterocyclic molecules containing divalent sulfur -
pp. 2055-2063
Karl Anker Jørgensen, Jan Linderberg and Peter Swanstrøm Rearrangement reactions in the barbaralyl cation -
pp. 2064-2072
Jiří Pancíř, Ivana Haslingerová and Petr Nachtigall Quantum chemical topological study of interaction of carbon monoxide on the Pd (112) surface -
pp. 2073-2081
Ede Kapuy, Zoltán Csépes, Ferencz Bartha, Ferencz Bogár and Cornelia Kozmutza Applications of the MBPT in the localized representation the behaviour of the localization terms -
pp. 2082-2095
Siegfried Hünig, Karl Peters, Michael Schmitt and Hans G. von Schnering MM2- und MNDO-rechnungen zur 1,5-laticyclischen dreiring-azo-wechselwirkung und ihr vergleich mit kristallstrukturdaten -
pp. 2096-2115
Jürgen Fabian and Peter Birner A theoretical study of the disulfide/dithione valence isomerism -
pp. 2116-2127
Achim Mehlhorn MNDO calculations of the molecular and electronic structure of thionitroso, dithionitro and related compounds -
pp. 2128-2139
Georges Leroy, Michel Sana and Claude Wilante Theoretical investigation of a possible new class of stable aminyl radicals -
pp. 2140-2158
František Tureček, Libor Brabec, Tomáš Vondrák, Vladimír Hanuš, Josef Hájíček and Zdeněk Havlas Sulfenic acids in the gas phase. Preparation, ionization energies and heats of formation of methane-, ethene-, and benzenesulfenic acid
* In paper with more than one author, the asterisk indicates the name of the author to whom correspondence should be addressed.
