- ISSN 0010-0765 printed
- ISSN 1212-6950 electronic
1988, Volume 53, Issue 10
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pp. 2159-2167
Bruno Blaive and Jacques Metzger On macroscopic spatial averaging of contact and long-range microscopic forces -
pp. 2168-2174
Jan Vančura and Zdeněk Herman Dynamics of the ion-molecule reaction D2O+ (NH3, NH2) HD2O+ from crossed-beam scattering experiments -
pp. 2175-2190
Petr Pracna and Zdeněk Havlas Ab initio study of the anharmonic properties of dipole moment functions of ammonia and the oxonium ion -
pp. 2191-2202
Hartmut Mix, Joachim Sauer, Klaus-Peter Schröder and Angela Merkel Vibrational properties of surface hydroxyls: Nonempirical model calculations including anharmonicities -
pp. 2203-2213
George D. Purvis, III, Hideo Sekino and Rodney J. Bartlett Multiplicity of many-body wavefunctions using unrestricted Hartree-Fock reference functions -
pp. 2214-2229
Małgorzata M. Szczęśniak and Steve Scheiner Accurate evaluation of SCF and MP2 components of interaction energies. Complexes of HF, OH2, and NH3 with Li+ -
pp. 2230-2238
Pavel Hobza and Paul von Ragué Schleyer On the nature of the bonding in X-Be-O molecules (X = He, Ne, Ar) -
pp. 2239-2249
Ivan Černušák and Miroslav Urban Effect of electron correlation on SN2 activation barriers. Fourth-order MBPT calculations -
pp. 2250-2265
Jaime Fernández Rico, Guillermo Ramírez, Rafael López and José I. Fernández-Alonso Accurate gaussian expansion of STO's. Test of many-center slater integrals -
pp. 2266-2278
Yuichi Yamamoto, Takeshi Noro and Kimio Ohno Composite natural orbitals for configuration interaction method -
pp. 2279-2307
Soheil D. Manoli and Michael A. Whitehead Generalized exchange local-spin-density-functional theory: One-electron energies and eigenvalues -
pp. 2308-2319
János G. Ángyán, György Ferenczy, Péter Nagy and Gábor Náray-Szabó Calculation of electrostatic potentials and fields inside zeolite cavities -
pp. 2320-2329
Rosanna Bonaccorsi, Evaristo Ojalvo and Jacopo Tomasi A preliminary report on a quantum-mechanical model for the energetics of a solute at the surface separating two immiscible liquid phases -
pp. 2330-2338
Rudolf Janoschek The origin of Rydberg orbitals -
pp. 2339-2352
Katsunori Sakurai and Kichisuke Nishimoto Intrinsic energy of partial structure -
pp. 2353-2365
Rudolf Polák and Jan Vojtík Assessment of atoms-in-molecules approaches to the diatomic input data generation for the diatomics-in-molecules method -
pp. 2366-2376
Parvathi S. Murthy and Josef Michl Conformational analysis by infrared linear dichroism of solutes in stretched polyethylene: The twist angle in biphenyl and 4,4'-dibromobiphenyl -
pp. 2377-2384
Roman Řeřicha, Björg N. Cyvin, Jon Brunvoll and Sven J. Cyvin Complex formation and kinematic coupling: C2H4.PtCl3 -
pp. 2385-2398
Jacques Lecoultre, Edgar Heilbronner, Paul Müller and Domingo Rodriguez The influence of fluoro substituents on cyclopropa-benzene, -naphthalene, and -anthracene -
pp. 2399-2411
Zlatko Knor and Jan Šotola Model study of supported bimetallic catalysts -
pp. 2412-2417
Slavoj Černý and Milan Kovář Heat of interaction of oxygen with dysprosium and yttrium -
pp. 2418-2428
Peter Bickert and Klaus Hafner Pentamethylcyclopentadienyl rhodium complexes of dihydro-s-indacenophanes: Transannular interactions -
pp. 2429-2446
Alexander Tkáč Alternating reactivity of free radicals coordinated to chelated transition metals and to hemoproteins
* In paper with more than one author, the asterisk indicates the name of the author to whom correspondence should be addressed.
