- ISSN 0010-0765 printed
- ISSN 1212-6950 electronic
1998, Volume 63, Issue 8
General, Theoretical and Physical Chemistry
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pp. 1089-1093
Břetislav Friedrich, Manish Gupta and Dudley Herschbach Probing Weakly-Bound Species with Nonresonant Light: Dissociation of He2Induced by Rotational Hybridization -
pp. 1094-1106
Juliusz G. Radziszewski, Piotr Kaszynski, Anders Friderichsen and Jens Abildgaard Bent Cyclopenta-2,4-dienylideneketene: Spectroscopic and ab initio Study of Reactive Intermediate -
pp. 1107-1142
Timothy J. Van Huis, Matthew L. Leininger, C. David Sherrill and Henry F. Schaefer, III Full Configuration Interaction Energies, Geometries, and Quartic Force Fields of the Nitrenium Ion -
pp. 1143-1151
Heinrich L. Selzle, Edward W. Schlag, Françoise Remacle and Raphael D. Levine Two Classes of ZEKE Spectroscopy -
pp. 1152-1160
Ján Žabka, Zdeněk Dolejšek, Inosuke Koyano and Zdeněk Herman Dynamics of Protonated Acetonitrile Formation in CD3CN+· + CH3CN Collisions: A Crossed-Beam Scattering Study -
pp. 1161-1176
Jan Dvořák and Lubomír Skála Analytical Solutions of the Schrödinger Equation. Ground State Energies and Wave Functions -
pp. 1177-1186
Gerold Steinebrunner, Anthony J. Dyson, Barbara Kirchner and Hanspeter Huber Ab initio Calculation of Transport Properties of Supercritical Carbon Dioxide -
pp. 1187-1201
Jaroslav Zamastil, Lubomír Skála, Petr Pančoška and Oldřich Bílek New Approach to the Theory of Circular Dichroism -
pp. 1202-1212
Dana Nachtigallová, Markéta Davidová and Petr Nachtigall Reliability of DFT Methods for Description of Cu Sites and Their Interaction with NO in Zeolites -
pp. 1213-1222
Jozef Mášik, Pavel Mach, Ján Urban, Martin Polášek, Peter Babinec and Ivan Hubač Single-Root Multireference Brillouin-Wigner Coupled-Cluster Theory. Rotational Barrier of the Ethylene Molecule -
pp. 1223-1244
Cordula Rauwolf, Achim Mehlhorn and Jürgen Fabian Binding Energies of Organic Charge-Transfer Complexes Calculated by First-Principles Methods -
pp. 1245-1263
Zdeněk Havlas and Hans Bock Bare Molecular Anions of Unsaturated Hydrocarbons: Density Functional Charge and Spin Distributions Based on Their Single Crystal Structures -
pp. 1264-1284
Petr Čársky and Tomáš Reschel Evaluation of Molecular Integrals in a Mixed Gaussian and Plane-Wave Basis by Means of the Faddeeva Function and Its Derivatives -
pp. 1285-1294
Joshua Jortner and Mordechai Bixon Ultrafast Nonadiabatic Dynamics. Theoretical Study of Femtosecond Electron Transfer Processes
* In paper with more than one author, the asterisk indicates the name of the author to whom correspondence should be addressed.
