Table Of Content

Chemical Physics Chemical Physics 248 (1999) 295-297 www.else/vlociatee r/c.henmplhy s Author index Alonso, J.L., see De Luis, A. 248 (1999) 247 Anderson, H.L., see Thorne, J.R.G. 248 (1999) 181 Blake, I.M., see Thorne, J.R.G. 248 (1999) 181 Blau, W.J., see Holzer, W. 248 (1999) 273 Bouattour, S., T. Mhiri and J. Jaud, Structure and vibrational study of a new material 248 (1999) 117 Rbp 73(NH 4) o.22 H(SO, op o(SeO, Jo Bradley, D.D.C., see Holzer, W. 248 (1999) 273 Chamma, D. and O. Henri-Rousseau, IR theory of weak H-bonds: Davydov coupling, Fermi resonances and direct relaxations. I. Basis equations within the linear response theory 248 (1999) 53 Chamma, D. and O. Henri-Rousseau, IR theory of weak H-bonds: Davydov coupling, Fermi resonances and direct relaxations. Il. General trends, from numerical experiments 248 (1999) 71 Chamma, D. and O. Henri-Rousseau, Infrared spectra of weak H-bonds: beyond an adiabatic description of Fermi resonances 248 (1999) 91 Chauvin, A.H., see Kustova, E.V. 248 (1999) 221 Czuchaj, E. and H. Stoll, Calculation of ground- and excited-state potential energy curves for the Cd-rare gas complexes 248 (1999) 1 De Luis, A., J.C. Lépez and J.L. Alonso, The Cl-nuclear quadrupole coupling tensors and the internal rotation barrier of 1,1-dichloroethane by Fourier transform microwave spectroscopy 248 (1999) 247 Denning, R.G., see Thorne, J.R.G. 248 (1999) 181 Gastilovich, E.A., see Korol’kova, N.V. 248 (1999) 233 Gédicke, B., see Zimmer, K. 248 (1999) 263 Gu, X.-B., see Zhu, R.-S. 248 (1999) 285 Han, K.-L., see Zhu, R.-S. 248 (1999) 285 Hariharan, C., M.C. Rath, T. Mukherjee and A.K. Mishra, 2-Naphthol—aliphatic amine exciplex systems: a method for approximate estimation of kinetic parameters 248 (1999) 41 Harland, P.W., see Thompson, A.E. 248 (19991)2 7 He, F.-C., see Li, X.-Y. 248 (19991)3 7 He, G.-Z., see Zhu, R.-S. 248 (19992)8 5 Henri-Rousseau, O., see Chamma, D. 248 (1999) 53 Henri-Rousseau, O., see Chamma, D. 248 (1999) 71 PII: S0301-0104(99)00291-8 296 Author index / Chemical Physics 248 (1999) 295-297 Henri-Rousseau, O., see Chamma, D. 248 (1999) 91 Holzer, W., A. Penzkofer, M. Pichlmaier, D.D.C. Bradley and W.J. Blau, Photodegradation of some luminescent polymers 248 (1999) 273 Hoppmeier, M., see Zimmer, K. 248 (1999) 263 Janzen, Ch., see Roth, W. 248 (1999) 17 Jaud, J., see Bouattour, S. 248 (1999) 117 Johnson, J.R.T. and I. Panas, Structure, bonding and redox properties of scandium oxide clusters, a model study 248 (1999) 161 Kalugin, N.G., P. Kleindienst and G.H. Wagniére, The magnetochiral birefringence in diamagnetic solutions and in uniaxial crystals 248 (1999) 105 Kir’ yanova, T.A., see Korol’kova, N.V. 248 (1999) 233 Kleindienst, P., see Kalugin, N.G. 248 (1999) 105 Klimenko, V.G., see Korol’kova, N.V. 248 (1999) 233 Korol’kova, N.V., V.G. Klimenko, T.A. Kir’yanova, S.A. Serov and E.A. Gastilovich, Internal heavy-atom effect on spin-orbit and vibronic—spin—orbit coupling: na ° phos- phorescence of 9,10-anthraquinone haloderivatives 248 (1999) 233 Kuebler, S.M., see Thorne, J.R.G. 248 (1999) 181 Kustova, E.V., E.A. Nagnibeda and A.H. Chauvin, State-to-state nonequilibrium reaction rates 248 (1999) 221 Li, X.-Y., X.-S. Tang and F.-C. He, Electron transfer in poly( p-phenylene) oligomers: effect of external electric field and application of Koopmans theorem 248 (1999) 137 Lépez, J.C., see De Luis, A. 248 (1999) 247 Lou, N.-Q., see Zhu, R.-S. 248 (1999) 285 Maclagan, R.G.A.R., see Thompson, A.E. 248 (19991)2 7 Markovic, N., see Svedung, H. 248 (19991)9 5 Meyer, H., see Zimmer, K. 248 (19992)6 3 Mhiri, T., see Bouattour, S. 248 (19991)1 7 Mishra, A.K., see Hariharan, C. 248 (1999) 41 Mukherjee, T., see Hariharan, C. 248 (1999) 41 Nagnibeda, E.A., see Kustova, E.V. 248 (1999) 221 Nordholm, S., see Svedung, H. 248 (1999) 195 Panas, |., see Johnson, J.R.T. 248 (1999) 161 Pecul, M. and J. Sadlej, The influence of electrostatic and dispersion interactions on the NMR parameters of acetylene 248 (1999) 27 Penzkofer, A., see Holzer, W. 248 (1999) 273 Peyerimhoff, S.D., see Sengupta, D. 248 (1999) 147 Pichlmaier, M., see Holzer, W. 248 (1999) 273 Rath, M.C., see Hariharan, C. 248 (1999) 41 Roth, W., D. Spangenberg, Ch. Janzen, A. Westphal and M. Schmitt, The relative stabilities of benzotriazole tautomers determined by a rotational band contour analysis of the N-H stretching vibration 248 (1999) 17 Author index / Chemical Physics 248 (1999) 295-297 297 Sadlej, J., see Pecul, M. 248 (1999) 27 Schmitt, M., see Roth, W. 248 (1999) 17 Schweig, A., see Zimmer, K. 248 (1999) 263 Sengupta, D., R. Sumathi and S.D. Peyerimhoff, Unimolecular decomposition of the isomers of [HNO,]* and [HNO,]~ systems: a DFT study 248 (1999) 147 Serov, S.A., see Korol’kova, N.V. 248 (1999) 233 Spangenberg, D., see Roth, W. 248 (1999) 17 Stoll, H., see Czuchaj, E. 248 (1999) 1 Sumathi, R., see Sengupta, D. 248 (1999) 147 Svedung, H., N. Markovi¢é and S. Nordholm, Collisional deactivation of CF,I - a molecular dynamics simulation 248 (1999) 195 Syutkin, V.M., Target problem in a lattice with randomly removed bonds 248 (1999) 213 Tang, X.-S., see Li, X.-Y. 248 (1999) 137 Taylor, P.N., see Thorne, J.R.G. 248 (1999) 181 Thompson, A.E., R.G.A.R. Maclagan and P.W. Harland, The ab-initio calculation of the gas phase ion mobility of Na* in N, 248 (1999) 127 Thorne, J.R.G., S.M. Kuebler, R.G. Denning, I.M. Blake, P.N. Taylor and H.L. Anderson, Degenerate four-wave mixing studies of butadiyne-linked conjugated porphyrin oligomers 248 (1999) 181 Wagniére, G.H., see Kalugin, N.G. 248 (1999) 105 Wang, G.-J., see Zhu, R.-S. 248 (1999) 285 Westphal, A., see Roth, W. 248 (1999) 17 Zhang, H., see Zhu, R.-S. 248 (1999) 285 Zhu, R.-S., H. Zhang, G.-J. Wang, X.-B. Gu, K.-L. Han, G.-Z. He and N.-Q. Lou, Photodissociation of o-dichlorobenzene at 266 nm 248 (1999) 285 Zimmer, K., B. Gédicke, M. Hoppmeier, H. Meyer and A. Schweig, Fluorescence spectroscopic studies on the radical cations of tetrathiafulvalenes 248 (1999) 263 Chemical Physics Chemical Physics 248 (1999) 299-306 www.else/vlociatee r/c.henmplhy s Subject index Methods and constructs Theoretical Computational methods for electronic structure Calculation of ground- and excited-state potential energy curves for the Cd-rare gas complexes, E. Czuchaj and H. Stoll 248 (1999) I The relative stabilities of benzotriazole tautomers determined by a rotational band contour analysis of the N—H stretching vibration, W. Roth, D. Spangenberg, Ch. Janzen, A. Westphal and M. Schmitt 248 (1999) 17 Electron transfer in poly( p-phenylene) oligomers: effect of external electric field and application of Koopmans theorem, X.-Y. Li, X.-S. Tang and F.-C. He 248 (1999) 137 Unimolecular decomposition of the isomers of [HNO,]* and [HNO,]~ systems: a DFT study, D. Sengupta, R. Sumathi and S.D. Peyerimhoff 248 (1999) 147 -perturbative and many body approaches The influence of electrostatic and dispersion interactions on the NMR parameters of acetylene, M. Pecul and J. Sadlej 248 (1999) 27 -density functional theory Unimolecular decomposition of the isomers of [HNO,]* and [HNO,]” systems: a DFT study, D. Sengupta, R. Sumathi and S.D. Peyerimhoff 248 (1999) 147 Structure, bonding and redox properties of scandium oxide clusters, a model study, J.R.T. Johnson and I. Panas 248 (1999) 161 Molecular response to external fields (incl. optical susceptibilities, dichroism, hyperpola- rizabilities) Degenerate four-wave mixing studies of butadiyne-linked conjugated porphyrin oligomers, J.R.G. Thorne, S.M. Kuebler, R.G. Denning, I.M. Blake, P.N. Taylor and H.L. Anderson 248 (1999) 181 Radiative (incl. relativistic) effects on molecules and molecular processes 2-Naphthol—aliphatic amine exciplex systems: a method for approximate estimation of kinetic parameters, C. Hariharan, M.C. Rath, T. Mukherjee and A.K. Mishra 248 (1999) 41 PII: $0301-0104(99)00292-x 300 Subject index / Chemical Physics 248 (1999) 299-306 Reactive molecular dynamics including dissipative processes Collisional deactivation of CF,I — a molecular dynamics simulation, H. Svedung, N. Markovié and S. Nordholm 248 (1999) 195 Statistical computational methods (incl. Monte Carlo) Target problem in a lattice with randomly removed bonds, V.M. Syutkin 248 (19992)1 3 Non-equilibrium statistical mechanics State-to-state nonequilibrium reaction rates, E.V. Kustova, E.A. Nagnibeda and A.H. Chauvin 248 (1999) 221 Non-equilibrium thermodynamic and hydrodynamic theories State-to-state nonequilibrium reaction rates, E.V. Kustova, E.A. Nagnibeda and A.H. Chauvin 248 (1999) 221 Time and space correlation functions IR theory of weak H-bonds: Davydov coupling, Fermi resonances and direct relaxations. I. Basis equations within the linear response theory, D. Chamma and O. Henri-Rousseau 248 (1999) 53 IR theory of weak H-bonds: Davydov coupling, Fermi resonances and direct relaxations. II. General trends, from numerical experiments, D. Chamma and O. Henri-Rousseau 248 (1999) 71 Infrared spectra of weak H-bonds: beyond an adiabatic description of Fermi resonances, D. Chamma and O. Henri-Rousseau 248 (1999) 91 Experiment Magnetic resonances The influence of electrostatic and dispersion interactions on the NMR parameters of acetylene, M. Pecul and J. Sadlej 248 (1999) 27 Molecular spectroscopy The magnetochiral birefringence in diamagnetic solutions and in uniaxial crystals, N.G. Kalugin, P. Kleindienst and G.H. Wagniére 248 (1999) 105 Internal heavy-atom effect on spin-orbit and vibronic—spin—orbit coupling: na ~ phospho- rescence of 9,10-anthraquinone haloderivatives, N.V. Korol’kova, V.G. Klimenko, T.A. Kir’ yanova, S.A. Serov and E.A. Gastilovich 248 (1999) 233 Fluorescence spectroscopic studies on the radical cations of tetrathiafulvalenes, K. Zimmer, B. Gédicke, M. Hoppmeier, H. Meyer and A. Schweig 248 (1999) 263 -microwave The Cl-nuclear quadrupole coupling tensors and the internal rotation barrier of 1,1-dichlo- roethane by Fourier transform microwave spectroscopy, A. de Luis, J.C. Lépez and J.L. Alonso 248 (1999) 247 -infrared The relative stabilities of benzotriazole tautomers determined by a rotational band contour analysis of the N—H stretching vibration, W. Roth, D. Spangenberg, Ch. Janzen, A. Westphal and M. Schmitt 248 (1999) 17 Subject index / Chemical Physics 248 (1999) 299-306 IR theory of weak H-bonds: Davydov coupling, Fermi resonances and direct relaxations. I. Basis equations within the linear response theory, D. Chamma and O. Henri-Rousseau 248 (1999) 53 IR theory of weak H-bonds: Davydov coupling, Fermi resonances and direct relaxations. II. General trends, from numerical experiments, D. Chamma and O. Henri-Rousseau 248 (1999) 71 Infrared spectra of weak H-bonds: beyond an adiabatic description of Fermi resonances, D. Chamma and O. Henri-Rousseau 248 (1999) 91 Structure and vibrational study of a new material Rb, >.(NH,), >» H(SO,), .(SeO,), ,, S. Bouattour, T. Mhiri and J. Jaud 248 (1999) 117 -Raman Structure and vibrational study of a new material Rb, >.(NH,>») H(,SO ,), .(SeO,), ;, S. Bouattour, T. Mhiri and J. Jaud 248 (1999) 117 -visible Fluorescence spectroscopic studies on the radical cations of tetrathiafulvalenes, K. Zimmer, B. Godicke, M. Hoppmeier, H. Meyer and A. Schweig 248 (1999) 263 Photodegradation of some luminescent polymers, W. Holzer, A. Penzkofer, M. Pichlmaier, D.D.C. Bradley and W.J. Blau 248 (1999) 273 Photon counting and phase fluorimetry 2-Naphthol—aliphatic amine exciplex systems: a method for approximate estimation of kinetic parameters, C. Hariharan, M.C. Rath, T. Mukherjee and A.K. Mishra 248 (1999) 41 Nonlinear optics and spectroscopy Degenerate four-wave mixing studies of butadiyne-linked conjugated porphyrin oligomers, J.R.G. Thorne, S.M. Kuebler, R.G. Denning, I.M. Blake, P.N. Taylor and HLL. Anderson 248 (1999) 181 Coherent optical spectroscopy The magnetochiral birefringence in diamagnetic solutions and in uniaxial crystals, N.G. Kalugin, P. Kleindienst and G.H. Wagniére 248 (1999) 105 Atomic and molecular beam techniques Photodissociation of o-dichlorobenzene at 266 nm, R.-S. Zhu, H. Zhang, G.-J. Wang, X.-B. Gu, K.-L. Han, G.-Z. He and N.-Q. Lou 248 (1999) 285 X-ray, electron and neutron diffraction Structure and vibrational study of a new material Rb, 7.(NH,5,) H(,SO ,), .(SeO,), ,, S. Bouattour, T. Mhiri and J. Jaud 248 (1999) 117 Objects Bulk systems Gases Calculation of ground- and excited-state potential energy curves for the Cd-rare gas complexes, E. Czuchaj and H. Stoll 248 (1999) 1 302 Subject index / Chemical Physics 248 (1999) 299-306 The relative stabilities of benzotriazole tautomers determined by a rotational band contour analysis of the N-H stretching vibration, W. Roth, D. Spangenberg, Ch. Janzen, A. Westphal and M. Schmitt 248 (1999) 17 The ab-initio calculation of the gas phase ion mobility of Na” in N,, A.E. Thompson, R.G.A.R. Maclagan and P.W. Harland 248 (1999) 127 Collisional deactivation of CF,I1 — a molecular dynamics simulation, H. Svedung, N. Markovié and S. Nordholm 248 (1999) 195 State-to-state nonequilibrium reaction rates, E.V. Kustova, E.A. Nagnibeda and A.H. Chauvin 248 (1999) 221 The Cl-nuclear quadrupole coupling tensors and the internal rotation barrier of 1,1-dichlo- roethane by Fourier transform microwave spectroscopy, A. de Luis, J.C. Lépez and J.L. Alonso 248 (1999) 247 Supersonic beams The Cl-nuclear quadrupole coupling tensors and the internal rotation barrier of 1,1-dichlo- roethane by Fourier transform microwave spectroscopy, A. de Luis, J.C. Lépez and J.L. Alonso 248 (1999) 247 Liquid mixtures and solutions 2-Naphthol—aliphatic amine exciplex systems: a method for approximate estimation of kinetic parameters, C. Hariharan, M.C. Rath, T. Mukherjee and A.K. Mishra 248 (1999) 41 The magnetochiral birefringence in diamagnetic solutions and in uniaxial crystals, N.G. Kalugin, P. Kleindienst and G.H. Wagniére 248 (1999) 105 Crystals Structure and vibrational study of a new material Rb, >.(NH,>») H(,SO ,), .(SeO,), ,, S. Bouattour, T. Mhiri and J. Jaud 248 (1999) 117 -neat The magnetochiral birefringence in diamagnetic solutions and in uniaxial crystals, N.G. Kalugin, P. Kleindienst and G.H. Wagniére 248 (1999) 105 Glasses Target problem in a lattice with randomly removed bonds, V.M. Syutkin 248 (19992)1 3 Polymers Degenerate four-wave mixing studies of butadiyne-linked conjugated porphyrin oligomers, J.R.G. Thorne, S.M. Kuebler, R.G. Denning, I.M. Blake, P.N. Taylor and HLL. Anderson 248 (1999) 181 Photodegradation of some luminescent polymers, W. Holzer, A. Penzkofer, M. Pichlmaier, D.D.C. Bradley and W.J. Blau 248 (1999) 273 Thin films Photodegradation of some luminescent polymers, W. Holzer, A. Penzkofer, M. Pichlmaier, D.D.C. Bradley and W.J. Blau 248 (1999) 273 Subject index / Chemical Physics 248 (1999) 299-306 Microscopic and mesoscopic systems Molecules (neutral and ionic) Internal heavy-atom effect on spin—orbit and vibronic—spin—orbit coupling: nt" phospho- rescence of 9,10-anthraquinone haloderivatives, N.V. Korol’kova, V.G. Klimenko, T.A. Kir’ yanova, S.A. Serov and E.A. Gastilovich 248 (1999) 233 -diatomic Calculation of ground- and excited-state potential energy curves for the Cd-rare gas complexes, E. Czuchaj and H. Stoll 248 (1999) 1 -small polyatomics The ab-initio calculation of the gas phase ion mobility of Na* in N,, A.E. Thompson, R.G.A.R. Maclagan and P.W. Harland 248 (1999) 127 Structure, bonding and redox properties of scandium oxide clusters, a model study, J.R.T. Johnson and I. Panas 248 (1999) 161 -aromatics Electron transfer in poly( p-phenylene) oligomers: effect of external electric field and application of Koopmans theorem, X.-Y. Li, X.-S. Tang and F.-C. He 248 (1999) 137 Molecular aggregates -van der Waals molecules The influence of electrostatic and dispersion interactions on the NMR parameters of acetylene, M. Pecul and J. Sadlej 248 (1999) 27 -complexes IR theory of weak H-bonds: Davydov coupling, Fermi resonances and direct relaxations. I. Basis equations within the linear response theory, D. Chamma and O. Henri-Rousseau 248 (1999) 53 IR theory of weak H-bonds: Davydov coupling, Fermi resonances and direct relaxations. II. General trends, from numerical experiments, D. Chamma and O. Henri-Rousseau 248 (1999) 71 Infrared spectra of weak H-bonds: beyond an adiabatic description of Fermi resonances, D. Chamma and O. Henri-Rousseau 248 (1999) 91 Ions and charge carriers Fluorescence spectroscopic studies on the radical cations of tetrathiafulvalenes, K. Zimmer, B. Gédicke, M. Hoppmeier, H. Meyer and A. Schweig 248 (1999) 263 Phenomena Molecular structure The relative stabilities of benzotriazole tautomers determined by a rotational band contour analysis of the N-H stretching vibration, W. Roth, D. Spangenberg, Ch. Janzen, A. Westphal and M. Schmitt 248 (1999) 17 304 Subject index / Chemical Physics 248 (1999) 299-306 Unimolecular decomposition of the isomers of [HNO,]* and [HNO,]~ systems: a DFT study, D. Sengupta, R. Sumathi and S.D. Peyerimhoff 248 (1999) 147 Structure, bonding and redox properties of scandium oxide clusters, a model study, J.R.T. Johnson and I. Panas 248 (1999) 161 Vibrations and rotations of molecules IR theory of weak H-bonds: Davydov coupling, Fermi resonances and direct relaxations. I. Basis equations within the linear response theory, D. Chamma and O. Henri-Rousseau 248 (1999) 53 IR theory of weak H-bonds: Davydov coupling, Fermi resonances and direct relaxations. II. General trends, from numerical experiments, D. Chamma and O. Henri-Rousseau 248 (1999) 71 Infrared spectra of weak H-bonds: beyond an adiabatic description of Fermi resonances, D. Chamma and O. Henri-Rousseau 248 (1999) 91 Unimolecular decomposition of the isomers of [HNO,]* and [HNO,] systems: a DFT study, D. Sengupta, R. Sumathi and S.D. Peyerimhoff 248 (1999) 147 Internal heavy-atom effect on spin—orbit and vibronic—spin—orbit coupling: na*° phospho- rescence of 9,10-anthraquinone haloderivatives, N.V. Korol’kova, V.G. Klimenko, T.A. Kir’ yanova, S.A. Serov and E.A. Gastilovich 248 (1999) 233 The Cl-nuclear quadrupole coupling tensors and the internal rotation barrier of 1,1-dichlo- roethane by Fourier transform microwave spectroscopy, A. de Luis, J.C. Lopez and J.L. Alonso 248 (1999) 247 Electronic structure and states Unimolecular decomposition of the isomers of [HNO,]* and [HNO,] systems: a DFT study, D. Sengupta, R. Sumathi and S.D. Peyerimhoff 248 (1999) 147 Structure, bonding and redox properties of scandium oxide clusters, a model study, J.R.T. Johnson and I. Panas 248 (1999) 161 Degenerate four-wave mixing studies of butadiyne-linked conjugated porphyrin oligomers, J.R.G. Thorne, S.M. Kuebler, R.G. Denning, I.M. Blake, P.N. Taylor and HLL. Anderson 248 (1999) 181 Internal heavy-atom effect on spin—orbit and vibronic—spin—orbit coupling: na” phospho- rescence of 9,10-anthraquinone haloderivatives, N.V. Korol’kova, V.G. Klimenko, T.A. Kir’ yanova, S.A. Serov and E.A. Gastilovich 248 (1999) 233 Electric and magnetic properties The influence of electrostatic and dispersion interactions on the NMR parameters of acetylene, M. Pecul and J. Sadlej 248 (1999) 27 The magnetochiral birefringence in diamagnetic solutions and in uniaxial crystals, N.G. Kalugin, P. Kleindienst and G.H. Wagniére 248 (1999) 105 Optical activity The magnetochiral birefringence in diamagnetic solutions and in uniaxial crystals, N.G. Kalugin, P. Kleindienst and G.H. Wagniére 248 (1999) 105 Molecular interactions Calculation of ground- and excited-state potential energy curves for the Cd-rare gas complexes, E. Czuchaj and H. Stoll 248 (1999) 1 The influence of electrostatic and dispersion interactions on the NMR parameters of acetylene, M. Pecul and J. Sadlej 248 (1999) 27

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Chemical Physics Chemical Physics 248 (1999) 295-297 www.else/vlociatee r/c.henmplhy s Author index Alonso, J.L., see De Luis, A. 248 (1999) 247 Anderson, H.L., see Thorne, J.R.G. 248 (1999) 181 Blake, I.M., see Thorne, J.R.G. 248 (1999) 181 Blau, W.J., see Holzer, W. 248 (1999) 273 Bouattour, S., T. Mhiri and J. Jaud, Structure and vibrational study of a new material 248 (1999) 117 Rbp 73(NH 4) o.22 H(SO, op o(SeO, Jo Bradley, D.D.C., see Holzer, W. 248 (1999) 273 Chamma, D. and O. Henri-Rousseau, IR theory of weak H-bonds: Davydov coupling, Fermi resonances and direct relaxations. I. Basis equations within the linear response theory 248 (1999) 53 Chamma, D. and O. Henri-Rousseau, IR theory of weak H-bonds: Davydov coupling, Fermi resonances and direct relaxations. Il. General trends, from numerical experiments 248 (1999) 71 Chamma, D. and O. Henri-Rousseau, Infrared spectra of weak H-bonds: beyond an adiabatic description of Fermi resonances 248 (1999) 91 Chauvin, A.H., see Kustova, E.V. 248 (1999) 221 Czuchaj, E. and H. Stoll, Calculation of ground- and excited-state potential energy curves for the Cd-rare gas complexes 248 (1999) 1 De Luis, A., J.C. Lépez and J.L. Alonso, The Cl-nuclear quadrupole coupling tensors and the internal rotation barrier of 1,1-dichloroethane by Fourier transform microwave spectroscopy 248 (1999) 247 Denning, R.G., see Thorne, J.R.G. 248 (1999) 181 Gastilovich, E.A., see Korol’kova, N.V. 248 (1999) 233 Gédicke, B., see Zimmer, K. 248 (1999) 263 Gu, X.-B., see Zhu, R.-S. 248 (1999) 285 Han, K.-L., see Zhu, R.-S. 248 (1999) 285 Hariharan, C., M.C. Rath, T. Mukherjee and A.K. Mishra, 2-Naphthol—aliphatic amine exciplex systems: a method for approximate estimation of kinetic parameters 248 (1999) 41 Harland, P.W., see Thompson, A.E. 248 (19991)2 7 He, F.-C., see Li, X.-Y. 248 (19991)3 7 He, G.-Z., see Zhu, R.-S. 248 (19992)8 5 Henri-Rousseau, O., see Chamma, D. 248 (1999) 53 Henri-Rousseau, O., see Chamma, D. 248 (1999) 71 PII: S0301-0104(99)00291-8 296 Author index / Chemical Physics 248 (1999) 295-297 Henri-Rousseau, O., see Chamma, D. 248 (1999) 91 Holzer, W., A. Penzkofer, M. Pichlmaier, D.D.C. Bradley and W.J. Blau, Photodegradation of some luminescent polymers 248 (1999) 273 Hoppmeier, M., see Zimmer, K. 248 (1999) 263 Janzen, Ch., see Roth, W. 248 (1999) 17 Jaud, J., see Bouattour, S. 248 (1999) 117 Johnson, J.R.T. and I. Panas, Structure, bonding and redox properties of scandium oxide clusters, a model study 248 (1999) 161 Kalugin, N.G., P. Kleindienst and G.H. Wagniére, The magnetochiral birefringence in diamagnetic solutions and in uniaxial crystals 248 (1999) 105 Kir’ yanova, T.A., see Korol’kova, N.V. 248 (1999) 233 Kleindienst, P., see Kalugin, N.G. 248 (1999) 105 Klimenko, V.G., see Korol’kova, N.V. 248 (1999) 233 Korol’kova, N.V., V.G. Klimenko, T.A. Kir’yanova, S.A. Serov and E.A. Gastilovich, Internal heavy-atom effect on spin-orbit and vibronic—spin—orbit coupling: na ° phos- phorescence of 9,10-anthraquinone haloderivatives 248 (1999) 233 Kuebler, S.M., see Thorne, J.R.G. 248 (1999) 181 Kustova, E.V., E.A. Nagnibeda and A.H. Chauvin, State-to-state nonequilibrium reaction rates 248 (1999) 221 Li, X.-Y., X.-S. Tang and F.-C. He, Electron transfer in poly( p-phenylene) oligomers: effect of external electric field and application of Koopmans theorem 248 (1999) 137 Lépez, J.C., see De Luis, A. 248 (1999) 247 Lou, N.-Q., see Zhu, R.-S. 248 (1999) 285 Maclagan, R.G.A.R., see Thompson, A.E. 248 (19991)2 7 Markovic, N., see Svedung, H. 248 (19991)9 5 Meyer, H., see Zimmer, K. 248 (19992)6 3 Mhiri, T., see Bouattour, S. 248 (19991)1 7 Mishra, A.K., see Hariharan, C. 248 (1999) 41 Mukherjee, T., see Hariharan, C. 248 (1999) 41 Nagnibeda, E.A., see Kustova, E.V. 248 (1999) 221 Nordholm, S., see Svedung, H. 248 (1999) 195 Panas, |., see Johnson, J.R.T. 248 (1999) 161 Pecul, M. and J. Sadlej, The influence of electrostatic and dispersion interactions on the NMR parameters of acetylene 248 (1999) 27 Penzkofer, A., see Holzer, W. 248 (1999) 273 Peyerimhoff, S.D., see Sengupta, D. 248 (1999) 147 Pichlmaier, M., see Holzer, W. 248 (1999) 273 Rath, M.C., see Hariharan, C. 248 (1999) 41 Roth, W., D. Spangenberg, Ch. Janzen, A. Westphal and M. Schmitt, The relative stabilities of benzotriazole tautomers determined by a rotational band contour analysis of the N-H stretching vibration 248 (1999) 17 Author index / Chemical Physics 248 (1999) 295-297 297 Sadlej, J., see Pecul, M. 248 (1999) 27 Schmitt, M., see Roth, W. 248 (1999) 17 Schweig, A., see Zimmer, K. 248 (1999) 263 Sengupta, D., R. Sumathi and S.D. Peyerimhoff, Unimolecular decomposition of the isomers of [HNO,]* and [HNO,]~ systems: a DFT study 248 (1999) 147 Serov, S.A., see Korol’kova, N.V. 248 (1999) 233 Spangenberg, D., see Roth, W. 248 (1999) 17 Stoll, H., see Czuchaj, E. 248 (1999) 1 Sumathi, R., see Sengupta, D. 248 (1999) 147 Svedung, H., N. Markovi¢é and S. Nordholm, Collisional deactivation of CF,I - a molecular dynamics simulation 248 (1999) 195 Syutkin, V.M., Target problem in a lattice with randomly removed bonds 248 (1999) 213 Tang, X.-S., see Li, X.-Y. 248 (1999) 137 Taylor, P.N., see Thorne, J.R.G. 248 (1999) 181 Thompson, A.E., R.G.A.R. Maclagan and P.W. Harland, The ab-initio calculation of the gas phase ion mobility of Na* in N, 248 (1999) 127 Thorne, J.R.G., S.M. Kuebler, R.G. Denning, I.M. Blake, P.N. Taylor and H.L. Anderson, Degenerate four-wave mixing studies of butadiyne-linked conjugated porphyrin oligomers 248 (1999) 181 Wagniére, G.H., see Kalugin, N.G. 248 (1999) 105 Wang, G.-J., see Zhu, R.-S. 248 (1999) 285 Westphal, A., see Roth, W. 248 (1999) 17 Zhang, H., see Zhu, R.-S. 248 (1999) 285 Zhu, R.-S., H. Zhang, G.-J. Wang, X.-B. Gu, K.-L. Han, G.-Z. He and N.-Q. Lou, Photodissociation of o-dichlorobenzene at 266 nm 248 (1999) 285 Zimmer, K., B. Gédicke, M. Hoppmeier, H. Meyer and A. Schweig, Fluorescence spectroscopic studies on the radical cations of tetrathiafulvalenes 248 (1999) 263 Chemical Physics Chemical Physics 248 (1999) 299-306 www.else/vlociatee r/c.henmplhy s Subject index Methods and constructs Theoretical Computational methods for electronic structure Calculation of ground- and excited-state potential energy curves for the Cd-rare gas complexes, E. Czuchaj and H. Stoll 248 (1999) I The relative stabilities of benzotriazole tautomers determined by a rotational band contour analysis of the N—H stretching vibration, W. Roth, D. Spangenberg, Ch. Janzen, A. Westphal and M. Schmitt 248 (1999) 17 Electron transfer in poly( p-phenylene) oligomers: effect of external electric field and application of Koopmans theorem, X.-Y. Li, X.-S. Tang and F.-C. He 248 (1999) 137 Unimolecular decomposition of the isomers of [HNO,]* and [HNO,]~ systems: a DFT study, D. Sengupta, R. Sumathi and S.D. Peyerimhoff 248 (1999) 147 -perturbative and many body approaches The influence of electrostatic and dispersion interactions on the NMR parameters of acetylene, M. Pecul and J. Sadlej 248 (1999) 27 -density functional theory Unimolecular decomposition of the isomers of [HNO,]* and [HNO,]” systems: a DFT study, D. Sengupta, R. Sumathi and S.D. Peyerimhoff 248 (1999) 147 Structure, bonding and redox properties of scandium oxide clusters, a model study, J.R.T. Johnson and I. Panas 248 (1999) 161 Molecular response to external fields (incl. optical susceptibilities, dichroism, hyperpola- rizabilities) Degenerate four-wave mixing studies of butadiyne-linked conjugated porphyrin oligomers, J.R.G. Thorne, S.M. Kuebler, R.G. Denning, I.M. Blake, P.N. Taylor and H.L. Anderson 248 (1999) 181 Radiative (incl. relativistic) effects on molecules and molecular processes 2-Naphthol—aliphatic amine exciplex systems: a method for approximate estimation of kinetic parameters, C. Hariharan, M.C. Rath, T. Mukherjee and A.K. Mishra 248 (1999) 41 PII: $0301-0104(99)00292-x 300 Subject index / Chemical Physics 248 (1999) 299-306 Reactive molecular dynamics including dissipative processes Collisional deactivation of CF,I — a molecular dynamics simulation, H. Svedung, N. Markovié and S. Nordholm 248 (1999) 195 Statistical computational methods (incl. Monte Carlo) Target problem in a lattice with randomly removed bonds, V.M. Syutkin 248 (19992)1 3 Non-equilibrium statistical mechanics State-to-state nonequilibrium reaction rates, E.V. Kustova, E.A. Nagnibeda and A.H. Chauvin 248 (1999) 221 Non-equilibrium thermodynamic and hydrodynamic theories State-to-state nonequilibrium reaction rates, E.V. Kustova, E.A. Nagnibeda and A.H. Chauvin 248 (1999) 221 Time and space correlation functions IR theory of weak H-bonds: Davydov coupling, Fermi resonances and direct relaxations. I. Basis equations within the linear response theory, D. Chamma and O. Henri-Rousseau 248 (1999) 53 IR theory of weak H-bonds: Davydov coupling, Fermi resonances and direct relaxations. II. General trends, from numerical experiments, D. Chamma and O. Henri-Rousseau 248 (1999) 71 Infrared spectra of weak H-bonds: beyond an adiabatic description of Fermi resonances, D. Chamma and O. Henri-Rousseau 248 (1999) 91 Experiment Magnetic resonances The influence of electrostatic and dispersion interactions on the NMR parameters of acetylene, M. Pecul and J. Sadlej 248 (1999) 27 Molecular spectroscopy The magnetochiral birefringence in diamagnetic solutions and in uniaxial crystals, N.G. Kalugin, P. Kleindienst and G.H. Wagniére 248 (1999) 105 Internal heavy-atom effect on spin-orbit and vibronic—spin—orbit coupling: na ~ phospho- rescence of 9,10-anthraquinone haloderivatives, N.V. Korol’kova, V.G. Klimenko, T.A. Kir’ yanova, S.A. Serov and E.A. Gastilovich 248 (1999) 233 Fluorescence spectroscopic studies on the radical cations of tetrathiafulvalenes, K. Zimmer, B. Gédicke, M. Hoppmeier, H. Meyer and A. Schweig 248 (1999) 263 -microwave The Cl-nuclear quadrupole coupling tensors and the internal rotation barrier of 1,1-dichlo- roethane by Fourier transform microwave spectroscopy, A. de Luis, J.C. Lépez and J.L. Alonso 248 (1999) 247 -infrared The relative stabilities of benzotriazole tautomers determined by a rotational band contour analysis of the N—H stretching vibration, W. Roth, D. Spangenberg, Ch. Janzen, A. Westphal and M. Schmitt 248 (1999) 17 Subject index / Chemical Physics 248 (1999) 299-306 IR theory of weak H-bonds: Davydov coupling, Fermi resonances and direct relaxations. I. Basis equations within the linear response theory, D. Chamma and O. Henri-Rousseau 248 (1999) 53 IR theory of weak H-bonds: Davydov coupling, Fermi resonances and direct relaxations. II. General trends, from numerical experiments, D. Chamma and O. Henri-Rousseau 248 (1999) 71 Infrared spectra of weak H-bonds: beyond an adiabatic description of Fermi resonances, D. Chamma and O. Henri-Rousseau 248 (1999) 91 Structure and vibrational study of a new material Rb, >.(NH,), >» H(SO,), .(SeO,), ,, S. Bouattour, T. Mhiri and J. Jaud 248 (1999) 117 -Raman Structure and vibrational study of a new material Rb, >.(NH,>») H(,SO ,), .(SeO,), ;, S. Bouattour, T. Mhiri and J. Jaud 248 (1999) 117 -visible Fluorescence spectroscopic studies on the radical cations of tetrathiafulvalenes, K. Zimmer, B. Godicke, M. Hoppmeier, H. Meyer and A. Schweig 248 (1999) 263 Photodegradation of some luminescent polymers, W. Holzer, A. Penzkofer, M. Pichlmaier, D.D.C. Bradley and W.J. Blau 248 (1999) 273 Photon counting and phase fluorimetry 2-Naphthol—aliphatic amine exciplex systems: a method for approximate estimation of kinetic parameters, C. Hariharan, M.C. Rath, T. Mukherjee and A.K. Mishra 248 (1999) 41 Nonlinear optics and spectroscopy Degenerate four-wave mixing studies of butadiyne-linked conjugated porphyrin oligomers, J.R.G. Thorne, S.M. Kuebler, R.G. Denning, I.M. Blake, P.N. Taylor and HLL. Anderson 248 (1999) 181 Coherent optical spectroscopy The magnetochiral birefringence in diamagnetic solutions and in uniaxial crystals, N.G. Kalugin, P. Kleindienst and G.H. Wagniére 248 (1999) 105 Atomic and molecular beam techniques Photodissociation of o-dichlorobenzene at 266 nm, R.-S. Zhu, H. Zhang, G.-J. Wang, X.-B. Gu, K.-L. Han, G.-Z. He and N.-Q. Lou 248 (1999) 285 X-ray, electron and neutron diffraction Structure and vibrational study of a new material Rb, 7.(NH,5,) H(,SO ,), .(SeO,), ,, S. Bouattour, T. Mhiri and J. Jaud 248 (1999) 117 Objects Bulk systems Gases Calculation of ground- and excited-state potential energy curves for the Cd-rare gas complexes, E. Czuchaj and H. Stoll 248 (1999) 1 302 Subject index / Chemical Physics 248 (1999) 299-306 The relative stabilities of benzotriazole tautomers determined by a rotational band contour analysis of the N-H stretching vibration, W. Roth, D. Spangenberg, Ch. Janzen, A. Westphal and M. Schmitt 248 (1999) 17 The ab-initio calculation of the gas phase ion mobility of Na” in N,, A.E. Thompson, R.G.A.R. Maclagan and P.W. Harland 248 (1999) 127 Collisional deactivation of CF,I1 — a molecular dynamics simulation, H. Svedung, N. Markovié and S. Nordholm 248 (1999) 195 State-to-state nonequilibrium reaction rates, E.V. Kustova, E.A. Nagnibeda and A.H. Chauvin 248 (1999) 221 The Cl-nuclear quadrupole coupling tensors and the internal rotation barrier of 1,1-dichlo- roethane by Fourier transform microwave spectroscopy, A. de Luis, J.C. Lépez and J.L. Alonso 248 (1999) 247 Supersonic beams The Cl-nuclear quadrupole coupling tensors and the internal rotation barrier of 1,1-dichlo- roethane by Fourier transform microwave spectroscopy, A. de Luis, J.C. Lépez and J.L. Alonso 248 (1999) 247 Liquid mixtures and solutions 2-Naphthol—aliphatic amine exciplex systems: a method for approximate estimation of kinetic parameters, C. Hariharan, M.C. Rath, T. Mukherjee and A.K. Mishra 248 (1999) 41 The magnetochiral birefringence in diamagnetic solutions and in uniaxial crystals, N.G. Kalugin, P. Kleindienst and G.H. Wagniére 248 (1999) 105 Crystals Structure and vibrational study of a new material Rb, >.(NH,>») H(,SO ,), .(SeO,), ,, S. Bouattour, T. Mhiri and J. Jaud 248 (1999) 117 -neat The magnetochiral birefringence in diamagnetic solutions and in uniaxial crystals, N.G. Kalugin, P. Kleindienst and G.H. Wagniére 248 (1999) 105 Glasses Target problem in a lattice with randomly removed bonds, V.M. Syutkin 248 (19992)1 3 Polymers Degenerate four-wave mixing studies of butadiyne-linked conjugated porphyrin oligomers, J.R.G. Thorne, S.M. Kuebler, R.G. Denning, I.M. Blake, P.N. Taylor and HLL. Anderson 248 (1999) 181 Photodegradation of some luminescent polymers, W. Holzer, A. Penzkofer, M. Pichlmaier, D.D.C. Bradley and W.J. Blau 248 (1999) 273 Thin films Photodegradation of some luminescent polymers, W. Holzer, A. Penzkofer, M. Pichlmaier, D.D.C. Bradley and W.J. Blau 248 (1999) 273 Subject index / Chemical Physics 248 (1999) 299-306 Microscopic and mesoscopic systems Molecules (neutral and ionic) Internal heavy-atom effect on spin—orbit and vibronic—spin—orbit coupling: nt" phospho- rescence of 9,10-anthraquinone haloderivatives, N.V. Korol’kova, V.G. Klimenko, T.A. Kir’ yanova, S.A. Serov and E.A. Gastilovich 248 (1999) 233 -diatomic Calculation of ground- and excited-state potential energy curves for the Cd-rare gas complexes, E. Czuchaj and H. Stoll 248 (1999) 1 -small polyatomics The ab-initio calculation of the gas phase ion mobility of Na* in N,, A.E. Thompson, R.G.A.R. Maclagan and P.W. Harland 248 (1999) 127 Structure, bonding and redox properties of scandium oxide clusters, a model study, J.R.T. Johnson and I. Panas 248 (1999) 161 -aromatics Electron transfer in poly( p-phenylene) oligomers: effect of external electric field and application of Koopmans theorem, X.-Y. Li, X.-S. Tang and F.-C. He 248 (1999) 137 Molecular aggregates -van der Waals molecules The influence of electrostatic and dispersion interactions on the NMR parameters of acetylene, M. Pecul and J. Sadlej 248 (1999) 27 -complexes IR theory of weak H-bonds: Davydov coupling, Fermi resonances and direct relaxations. I. Basis equations within the linear response theory, D. Chamma and O. Henri-Rousseau 248 (1999) 53 IR theory of weak H-bonds: Davydov coupling, Fermi resonances and direct relaxations. II. General trends, from numerical experiments, D. Chamma and O. Henri-Rousseau 248 (1999) 71 Infrared spectra of weak H-bonds: beyond an adiabatic description of Fermi resonances, D. Chamma and O. Henri-Rousseau 248 (1999) 91 Ions and charge carriers Fluorescence spectroscopic studies on the radical cations of tetrathiafulvalenes, K. Zimmer, B. Gédicke, M. Hoppmeier, H. Meyer and A. Schweig 248 (1999) 263 Phenomena Molecular structure The relative stabilities of benzotriazole tautomers determined by a rotational band contour analysis of the N-H stretching vibration, W. Roth, D. Spangenberg, Ch. Janzen, A. Westphal and M. Schmitt 248 (1999) 17 304 Subject index / Chemical Physics 248 (1999) 299-306 Unimolecular decomposition of the isomers of [HNO,]* and [HNO,]~ systems: a DFT study, D. Sengupta, R. Sumathi and S.D. Peyerimhoff 248 (1999) 147 Structure, bonding and redox properties of scandium oxide clusters, a model study, J.R.T. Johnson and I. Panas 248 (1999) 161 Vibrations and rotations of molecules IR theory of weak H-bonds: Davydov coupling, Fermi resonances and direct relaxations. I. Basis equations within the linear response theory, D. Chamma and O. Henri-Rousseau 248 (1999) 53 IR theory of weak H-bonds: Davydov coupling, Fermi resonances and direct relaxations. II. General trends, from numerical experiments, D. Chamma and O. Henri-Rousseau 248 (1999) 71 Infrared spectra of weak H-bonds: beyond an adiabatic description of Fermi resonances, D. Chamma and O. Henri-Rousseau 248 (1999) 91 Unimolecular decomposition of the isomers of [HNO,]* and [HNO,] systems: a DFT study, D. Sengupta, R. Sumathi and S.D. Peyerimhoff 248 (1999) 147 Internal heavy-atom effect on spin—orbit and vibronic—spin—orbit coupling: na*° phospho- rescence of 9,10-anthraquinone haloderivatives, N.V. Korol’kova, V.G. Klimenko, T.A. Kir’ yanova, S.A. Serov and E.A. Gastilovich 248 (1999) 233 The Cl-nuclear quadrupole coupling tensors and the internal rotation barrier of 1,1-dichlo- roethane by Fourier transform microwave spectroscopy, A. de Luis, J.C. Lopez and J.L. Alonso 248 (1999) 247 Electronic structure and states Unimolecular decomposition of the isomers of [HNO,]* and [HNO,] systems: a DFT study, D. Sengupta, R. Sumathi and S.D. Peyerimhoff 248 (1999) 147 Structure, bonding and redox properties of scandium oxide clusters, a model study, J.R.T. Johnson and I. Panas 248 (1999) 161 Degenerate four-wave mixing studies of butadiyne-linked conjugated porphyrin oligomers, J.R.G. Thorne, S.M. Kuebler, R.G. Denning, I.M. Blake, P.N. Taylor and HLL. Anderson 248 (1999) 181 Internal heavy-atom effect on spin—orbit and vibronic—spin—orbit coupling: na” phospho- rescence of 9,10-anthraquinone haloderivatives, N.V. Korol’kova, V.G. Klimenko, T.A. Kir’ yanova, S.A. Serov and E.A. Gastilovich 248 (1999) 233 Electric and magnetic properties The influence of electrostatic and dispersion interactions on the NMR parameters of acetylene, M. Pecul and J. Sadlej 248 (1999) 27 The magnetochiral birefringence in diamagnetic solutions and in uniaxial crystals, N.G. Kalugin, P. Kleindienst and G.H. Wagniére 248 (1999) 105 Optical activity The magnetochiral birefringence in diamagnetic solutions and in uniaxial crystals, N.G. Kalugin, P. Kleindienst and G.H. Wagniére 248 (1999) 105 Molecular interactions Calculation of ground- and excited-state potential energy curves for the Cd-rare gas complexes, E. Czuchaj and H. Stoll 248 (1999) 1 The influence of electrostatic and dispersion interactions on the NMR parameters of acetylene, M. Pecul and J. Sadlej 248 (1999) 27

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