Table Of Content

Chemical Physics ELSEVIER Chemical Physics 232 (1998) 373-376 Author index to volume 232 Agren, H., see Plashkevych, O. 232 (1998) 49 Aleman, C. and S.E. Galembeck, Solvation of chromone using combined Discrete /SCRF models 232 (1998) 151 Amorim, J., see Loureiro, J. 232 (1998) 141 Apkarian, V.A., see Grigorenko, B.L. 232 (1998) 321 Azriel, V.M., L.Yu. Rusin, M.B. Sevryuk and J.P. Toennies, Effect of the angular dependence of the barrier height on the features of the F + H, reaction 232 (1998) 307 Bacchus-Montabonel, M.C., see Talbi, D. 232 (1998) 267 Baier, J., see Dahinten, T. 232 (1998) 239 Barbier, C., see Lembarki, A. 232 (1998) 343 Basilevsky, M.V., I.V. Rostov and M.D. Newton, A frequency-resolved cavity model (FRCM) for treating equilibrium and non-equilibrium solvation energies 232 (1998) 189 Basilevsky, M.V., see Newton, M.D. 232 (1998) 201 Bini, R., J. Ebenhoch, M. Fanti, P.W. Fowler, S. Leach, G. Orlandi, Ch. Riichardt, J.P.B. Sandall and F. Zerbetto, The vibrational spectroscopy of C,,.H,,: An experimental and theoretical study 232 (1998) 75 Brickmann, J., see Gudowska-Nowak, E. 232 (1998) 247 Brion, C.E., see Olney, T.N. 232 (1998) 211 Carravetta, V., see Plashkevych, O. 232 (1998) 49 Castet, F., L. Ducasse and A. Fritsch, A Valence/ -HaBrtroeen—Fdoc k method to determine the Hubbard transfer integrals in organic conductors 232 (1998) 37 Castillejo, M., S. Couris, E. Lane, M. Martin and J. Ruiz, Laser photodissociation of ketene at 230 nm 232 (1998) 353 Chandra, A.K. and M.T. Nguyen, A density functional study of weakly bound hydrogen bonded complexes 232 (1998) 299 Chen, I.-C., see Jen, S.-H. 232 (1998) 131 Cho, C.H., S. Singh and G.W. Robinson, Water anomalies and the double-well Takahashi model 232 (1998) 329 Cooper, G., see Olney, T.N. 232 (1998) 211 Couris, S., see Castillejo, M. 232 (1998) 353 Dahinten, T., J. Baier and A. Seilmeier, Vibrational energy transfer processes in dye molecules after ultrafast excitation of skeletal modes 232 (19982)3 9 De Alti, G., see Fronzoni, G. 232 (1998) 9 Decleva, P., see Fronzoni, G. 232 (1998) 9 De Groot, F.M.F., see Hu, Z. 232 (1998) 63 Domcke, W., see Sobolewski, A.L. 232 (19982)5 7 Ducasse, L., see Castet, F. 232 (1998) 37 Pil $0301-0104(98 )00190-6 374 Author index to volume 232 Ebenhoch, J., see Bini, R. 232 (1998) 75 Famulari, A., M. Raimondi, M. Sironi and E. Gianinetti, Hartree-Fock limit properties of the water dimer in absence of BSSE 232 (1998) 275 Famulari, A., M. Raimondi, M. Sironi and E. Gianinetti, Ab initio MO-—VB study of water dimer 232 (1998) 289 Fanti, M., see Bini, R. 232 (1998) 75 Fowler, P.W., see Bini, R. 232 (1998) 75 Fritsch, A., see Castet, F. 232 (1998) 37 Fronzoni, G., M. Stener, P. Decleva and G. De Alti, Theoretical study of the Cl 1s and 2p near edge photoabsorption spectra of HCI by accurate ab-initio configuration interaction and density functional approaches 232 (1998) 9 FubB, W., S. Lochbrunner, A.M. Miiller, T. Schikarski, W.E. Schmid and S.A. Trushin, Pathway approach to ultrafast photochemistry: potential surfaces, conical intersections and isomerizations of small polyenes 232 (19981)6 1 Galembeck, S.E., see Aleman, C. 232 (19981)5 1 Gianinetti, E., see Famulari, A. 232 (19982)7 5 Gianinetti, E., see Famulari, A. 232 (19982)8 9 Grifoni, M., L. Hartmann and P. Hanggi, Erratum to ‘‘Dissipative tunneling with periodic polychromatic driving: Exact results and tractable approximations’’ [Chem. Phys. 217 (1997) 167] 232 (19983)7 1 Grigorenko, B.L., A.V. Nemukhin and V.A. Apkarian, Towards quantitative diatomics-in- molecules model for the water molecule 232 (19983)2 1 Gudowska-Nowak, E., G. Papp and J. Brickmann, Bridged-assisted electron transfer. Random matrix theory approach 232 (1998) 247 Hinggi, P., see Grifoni, M. 232 (1998) 371 Hartmann, L., see Grifoni, M. 232 (1998) 371 Hawlicka, E. and D. Swiatla-Wojcik, Molecular dynamics studies of NaCl solutions in methanol—water mixtures. An effect of NaCl on hydrogen bonded network 232 (1998) 361 Hsu, T.-J., see Jen, S.-H. 232 (1998) 131 Hu, Z., G. Kaindl, S.A. Warda, D. Reinen, F.M.F. de Groot and B.G. Miiller, On the electronic structure of Cu(IID and Ni(II) in La,Li, ,,Cu,,,0,, Nd,Li, ,,Ni, ,.O,, and Cs, KCuF, 232 (1998) 63 Iwata, S., see Ornellas, F.R. 232 (1998) 95 Jen, S.-H., T.-J. Hsu and I.-C. Chen, Fluorescence lifetime of rovibrational states of h,-acetaldehyde and spectra of d,-acetaldehyde 232 (1998) 131 Kaindl, G., see Hu, Z. 232 (1998) 63 Kikuchi, O., see Yagi, T. 232 (1998) 1 Klochikhin, V.L., see Trakhtenberg, L.I. 232 (1998) 175 Lane, E., see Castillejo, M. 232 (1998) 353 Leach, S., see Bini, R. 232 (1998) 75 Lemaire, Ph., see Lembarki, A. 232 (1998) 343 Author index to volume 232 375 Lembarki, A., C. Barbier, Ph. Lemaire and E.N. Svendsen, Ab initio variational calculation of dynamic polarizabilities and hyperpolarizabilities. I. Polarizability and quadratic hyperpolarizability of water, carbon monoxide and hydrogen fluoride 232 (1998) 343 Lochbrunner, S., see Fu, W. 232 (1998) 161 Loureiro, J. and J. Amorim, Dependence of volume-produced H™ ions on the wall recombination probability of H atoms in a low pressure H, positive column 232 (1998) 141 Martin, M., see Castillejo, M. 232 (1998) 353 Morihashi, K., see Yagi, T. 232 (1998) | Miller, A.M., see FuB, W. 232 (1998) 161 Miller, B.G., see Hu, Z. 232 (1998) 63 Nemukhin, A.V., see Grigorenko, B.L. 232 (1998) 321 Newton, M.D., M.V. Basilevsky and I.V. Rostov, A frequency-resolved cavity model (FRCM) for treating equilibrium and non-equilibrium solvation energies. 2: Evaluation of solvent reorganization energies 232 (1998) 201 Newton, M.D., see Basilevsky, M.V. 232 (1998) 189 Nguyen, M.T., see Chandra, A.K. 232 (1998) 299 Olney, T.N., G. Cooper and C.E. Brion, Quantitative studies of the photoabsorption (4.5—488 eV) and photoionization (9—59.5 eV) of methyl iodide using dipole electron impact techniques 232 (19982)1 1 Oppel, M. and G.K. Paramonov, Ultrafast laser control of vibrational dynamics for a two-dimensional model of HONO, in the ground electronic state: separation of conformers, control of the bond length, selective preparation of the discrete and the continuum states 232 (1998) 111 Orlandi, G., see Bini, R. 232 (1998) 75 Ornellas, F.R. and S. Iwata, A theoretical study of the electronic structure and spectroscopic properties of the low-lying electronic states of the molecule AISi 232 (1998) 95 Papp, G., see Gudowska-Nowak, E. 232 (1998) 247 Paramonov, G.K., see Oppel, M. 232 (1998) 111 Plashkevych, O., V. Carravetta, O. Vahtras and H. Agren, Theoretical study of X-ray circular dichroism of amino acids 232 (1998) 49 Polak, R., Bonding in molecular dications from the classical valence bond viewpoint. A case study of CO** 232 (1998) 25 Raimondi, M., see Famulari, A. 232 (19982)7 5 Raimondi, M., see Famulari, A. 232 (19982)8 9 Reinen, D., see Hu, Z. 232 (1998) 63 Robinson, G.W., see Cho, C.H. 232 (19983)2 9 Rostov, I.V., see Basilevsky, M.V. 232 (19981)8 9 Rostov, I.V., see Newton, M.D. 232 (19982)0 1 Riichardt, Ch., see Bini, R. 232 (1998) 75 Ruiz, J., see Castillejo, M. 232 (19983)5 3 Rusin, L.Yu., see Azriel, V.M. 232 (19983)0 7 Sandall, J.P.B., see Bini, R. 232 (1998) 75 Schikarski, T., see FuB, W. 232 (1998) 161 376 Author index to volume 232 Schmid, W.E., see FuB, W. 232 (19981)6 1 Seilmeier, A., see Dahinten, T. 232 (19982)3 9 Sevryuk, M.B., see Azriel, V.M. 232 (19983)0 7 Singh, S., see Cho, C.H. 232 (19983)2 9 Sironi, M., see Famulari, A. 232 (19982)7 5 Sironi, M., see Famulari, A. 232 (19982)8 9 Sobolewski, A.L. and W. Domcke, Ab initio study of excited-state intramolecular proton dislocation in salicylic acid 232 (1998) 257 Stener, M., see Fronzoni, G. 232 (1998) 9 Svendsen, E.N., see Lembarki, A. 232 (1998) 343 Swiatla- Wojcik, D., see Hawlicka, E. 232 (1998) 361 Takase, H., see Yagi, T. 232 (1998) 1 Talbi, D. and M.C. Bacchus-Montabonel, Ab-initio study of a radiative association mechanism application to the CH} + H, reaction 232 (1998) 267 Toennies, J.P., see Azriel, V.M. 232 (1998) 307 Trakhtenberg, L.I. and V.L. Klochikhin, Effect of pressure and temperature on the H-atom tunneling in solid phase chemical reactions. The acridine /fluorene system 232 (1998) 175 Trushin, S.A., see Fub, W. 232 (1998) 161 Vahtras, O., see Plashkevych, O. 232 (1998) 49 Warda, S.A., see Hu, Z. 232 (1998) 63 Yagi, T., H. Takase, K. Morihashi and O. Kikuchi, Monte Carlo and molecular orbital study of solvent effect on the electronic structure and hyperfine coupling constants of the (CH,),NO radical: the effect of electron transfer between the solute and solvent molecules 232 (1998) 1 Zerbetto, F., see Bini, R. 232 (1998) 75 Chemical Physics ELSEVIER Chemical Physics 232 (1998) 377-386 Subject index to volume 232 Methods and constructs Theoretical Computational methods for electronic structure Monte Carlo and molecular orbital study of solvent effect on the electronic structure and hyperfine coupling constants of the (CH,),NO radical: the effect of electron transfer between the solute and solvent molecules, T. Yagi, H. Takase, K. Morihashi and O. Kikuchi 232 (1998) 1 Theoretical study of X-ray circular dichroism of amino acids, O. Plashkevych, V. Car- ravetta, O. Vahtras and H. Agren 232 (1998) 49 On the electronic structure of Cu(II) and Ni(IID in La,Li, ,,Cu, ,,0,, Nd,Li, ,.Ni, ,O,, and Cs,KCuF,, Z. Hu, G. Kaindl, S.A. Warda, D. Reinen, F.M.F. de Groot and B.G. Miller 232 (1998) 63 Bridged-assisted electron transfer. Random matrix theory approach, E. Gudowska-Nowak, G. Papp and J. Brickmann 232 (1998) 247 Ab initio study of excited-state intramolecular proton dislocation in salicylic acid, A.L. Sobolewski and W. Domcke 232 (1998) 257 -CI and valence bond approach Theoretical study of the Cl 1s and 2p near edge photoabsorption spectra of HCI by accurate ab-initio configuration interaction and density functional approaches, G. Fronzoni, M. Stener, P. Decleva and G. De Alti 232 (1998) 9 Bonding in molecular dications from the classical valence bond viewpoint. A case study of CO**, R. Polak 232 (1998) 25 A Valence-Bond /Hartree—Fock method to determine the Hubbard transfer integrals in organic conductors, F. Castet, L. Ducasse and A. Fritsch 232 (1998) 37 Ab-initio study of a radiative association mechanism application to the CH; + H, reaction, D. Talbi and M.C. Bacchus-Montabonel 232 (1998) 267 Hartree—Fock limit properties of the water dimer in absence of BSSE, A. Famulari, M. Raimondi, M. Sironi and E. Gianinetti 232 (1998) 275 Ab initio MO-VB study of water dimer, A. Famulari, M. Raimondi, M. Sironi and E. Gianinetti 232 (1998) 289 -perturbative and many body approaches Theoretical study of the Cl ls and 2p near edge photoabsorption spectra of HCI by accurate ab-initio configuration interaction and density functional approaches, G. Fronzoni, M. Stener, P. Decleva and G. De Alti 232 (1998) 9 378 Subject index to volume 232 -density functional theory Theoretical study of the Cl 1s and 2p near edge photoabsorption spectra of HCI by accurate ab-initio configuration interaction and density functional approaches, G. Fronzoni, M. Stener, P. Decleva and G. De Alti 232 (1998) 9 A density functional study of weakly bound hydrogen bonded complexes, A.K. Chandra and M.T. Nguyen 232 (1998) 299 Semiempirical methods A Valence-Bond /Hartree—Fock method to determine the Hubbard transfer integrals in organic conductors, F. Castet, L. Ducasse and A. Fritsch 232 (1998) 37 The vibrational spectroscopy of C,.H,,: An experimental and theoretical study, R. Bini, J. Ebenhoch, M. Fanti, P.W. Fowler, S. Leach, G. Orlandi, Ch. Richardt, J.P.B. Sandall and F. Zerbetto 232 (1998) 75 Effect of the angular dependence of the barrier height on the features of the F +H, reaction, V.M. Azriel, L.Yu. Rusin, M.B. Sevryuk and J.P. Toennies 232 (1998) 307 Towards quantitative diatomics-in-molecules model for the water molecule, B.L. Grig- orenko, A.V. Nemukhin and V.A. Apkarian 232 (1998) 321 Algebraic approaches Bridged-assisted electron transfer. Random matrix theory approach, E. Gudowska-Nowak, G. Papp and J. Brickmann 232 (1998) 247 Water anomalies and the double-well Takahashi model, C.H. Cho, S. Singh and G.W. Robinson 232 (1998) 329 Wavefunctions for highly excited and unbound states Theoretical study of X-ray circular dichroism of amino acids, O. Plashkevych, V. Car- ravetta, O. Vahtras and H. Agren 232 (1998) 49 A theoretical study of the electronic structure and spectroscopic properties of the low-lying electronic states of the molecule AlSi, F.R. Ornellas and S. Iwata 232 (1998) 95 Molecular response to external fields (incl. optical susceptibilities, dichroism, hyperpolarizabilities) Ultrafast laser control of vibrational dynamics for a two-dimensional model of HONO, in the ground electronic state: separation of conformers, control of the bond length, selective preparation of the discrete and the continuum states, M. Oppel and G.K. Paramonov 232 (1998) 111 Ab initio variational calculation of dynamic polarizabilities and hyperpolarizabilities. I. Polarizability and quadratic hyperpolarizability of water, carbon monoxide and hydrogen fluoride, A. Lembarki, C. Barbier, Ph. Lemaire and E.N. Svendsen 232 (1998) 343 Radiative (incl. relativistic) effects on molecules and molecular processes Fluorescence lifetime of rovibrational states of h,-acetaldehyde and spectra of d,- acetaldehyde, S.-H. Jen, T.-J. Hsu and I.-C. Chen 232 (1998) 131 Ab-initio study of a radiative association mechanism application to the CH; + H, reaction, D. Talbi and M.C. Bacchus-Montabonel 232 (1998) 267 Reactive molecular dynamics including dissipative processes Fluorescence lifetime of rovibrational states of h,-acetaldehyde and spectra of d,- acetaldehyde, S.-H. Jen, T.-J. Hsu and I.-C. Chen 232 (1998) 131 Subject index to volume 232 379 Dependence of volume-produced H™ ions on the wali recombination probability of H atoms in a low pressure H, positive column, J. Loureiro and J. Amorim 232 (1998) 141 Effect of the angular dependence of the barrier height on the features of the F +H, reaction, V.M. Azriel, L.Yu. Rusin, M.B. Sevryuk and J.P. Toennies 232 (1998) 307 Laser photodissociation of ketene at 230 nm, M. Castillejo, S. Couris, E. Lane, M. Martin and J. Ruiz 232 (1998) 353 Intramolecular dynamics Solvation of chromone using combined Discrete/SCRF models, C. Aleman and S.E. Galembeck 232 (1998) 151 Pathway approach to ultrafast photochemistry: potential surfaces, conical intersections and isomerizations of small polyenes, W. FuB, S. Lochbrunner, A.M. Miiller, T. Schikarski, W.E. Schmid and S.A. Trushin 232 (1998) 161 Molecular dynamics of many particle systems and condensed phases Effect of pressure and temperature on the H-atom tunneling in solid phase chemical reactions. The acridine /fluorene system, L.I. Trakhtenberg and V.L. Klochikhin 232 (1998) 175 Molecular dynamics studies of NaCl solutions in methanol—water mixtures. An effect of NaCl on hydrogen bonded network, E. Hawlicka and D. Swiatla-Wojcik 232 (1998) 361 Statistical computational methods (incl. Monte Carlo) Bridged-assisted electron transfer. Random matrix theory approach, E. Gudowska-Nowak, G. Papp and J. Brickmann 232 (1998) 247 Fluctuations and random processes Bridged-assisted electron transfer. Random matrix theory approach, E. Gudowska-Nowak, G. Papp and J. Brickmann 232 (1998) 247 Non-equilibrium thermodynamic and hydrodynamic theories A frequency-resolved cavity model (FRCM) for treating equilibrium and non-equilibrium solvation energies, M.V. Basilevsky, I.V. Rostov and M.D. Newton 232 (1998) 189 A frequency-resolved cavity model (FRCM) for treating equilibrium and non-equilibrium solvation energies. 2: Evaluation of solvent reorganization energies, M.D. Newton, M.V. Basilevsky and I.V. Rostov 232 (1998) 201 Equilibrium statistical mechanics and thermodynamics Water anomalies and the double-well Takahashi model, C.H. Cho, S. Singh and G.W. Robinson 232 (1998) 329 Experiment -Molecular spectroscopy A theoretical study of the electronic structure and spectroscopic properties of the low-lying electronic states of the molecule AlSi, F.R. Ornellas and S. Iwata 232 (1998) 95 -infrared The vibrational spectroscopy of C,.H,,: An experimental and theoretical study, R. Bini, J. Ebenhoch, M. Fanti, P.W. Fowler, S. Leach, G. Orlandi, Ch. Richardt, J.P.B. Sandall and F. Zerbetto 232 (1998) 75 380 Subject index to volume 232 Ultrafast laser control of vibrational dynamics for a two-dimensional model of HONO, in the ground electronic state: separation of conformers, control of the bond length, selective preparation of the discrete and the continuum states, M. Oppel and G.K. Paramonov 232 (1998) 111 -Raman The vibrational spectroscopy of C,,.H,,: An experimental and theoretical study, R. Bini, J. Ebenhoch, M. Fanti, P.W. Fowler, S. Leach, G. Orlandi, Ch. Riichardt, J.P.B. Sandall and F. Zerbetto 232 (1998) 75 -UV Fluorescence lifetime of rovibrational states of h,-acetaldehyde and spectra of d,- acetaldehyde, S.-H. Jen, T.-J. Hsu and [.-C. Chen 232 (1998) 131 Multiphoton ionization Laser photodissociation of ketene at 230 nm, M. Castillejo, S. Couris, E. Lane, M. Martin and J. Ruiz 232 (1998) 353 X-ray spectroscopy On the electronic structure of Cu(II) and Ni(IID in La,Li, ,,Cu, ,O,, Nd,Li, ,.Ni, ,»O,, and Cs,KCuk,, Z. Hu, G. Kaindl, S.A. Warda, D. Reinen, F.M.F. de Groot and B.G. Miller 232 (1998) 63 Electron impact spectroscopy Quantitative studies of the photoabsorption (4.5—488 eV) and photoionization (9-59.5 eV) of methyl iodide using dipole electron impact techniques, T.N. Olney, G. Cooper and C.E. Brion 232 (1998) 211 Laser induced fluorescence Fluorescence lifetime of rovibrational states of h,-acetaldehyde and spectra of d,- acetaldehyde, S.-H. Jen, T.-J. Hsu and I.-C. Chen 232 (1998) 131 Ultrafast measurements Pathway approach to ultrafast photochemistry: potential surfaces, conical intersections and isomerizations of small polyenes, W. FuB, S. Lochbrunner, A.M. Miiller, T. Schikarski, W.E. Schmid and S.A. Trushin 232 (1998) 161 Vibrational energy transfer processes in dye molecules after ultrafast excitation of skeletal modes, T. Dahinten, J. Baier and A. Seilmeier 232 (1998) 239 Synchrotron spectroscopies On the electronic structure of Cu(II) and Ni(IID in La,Li, ,,Cu, ,,0,, Nd,Li, ,.Ni, ,.O,, and Cs,KCuk,, Z. Hu, G. Kaindl, S.A. Warda, D. Reinen, F.M.F. de Groot and B.G. Miiller 232 (1998) 63 Mass spectroscopy Laser photodissociation of ketene at 230 nm, M. Castillejo, S. Couris, E. Lane, M. Martin and J. Ruiz 232 (1998) 353 Subject index to volume 232 381 Objects Bulk systems Gases Hartree—Fock limit properties of the water dimer in absence of BSSE, A. Famulari, M. Raimondi, M. Sironi and E. Gianinetti 232 (1998) 275 Ab initio MO-VB study of water dimer, A. Famulari, M. Raimondi, M. Sironi and E. Gianinetti 232 (1998) 289 A density functional study of weakly bound hydrogen bonded complexes, A.K. Chandra and M.T. Nguyen 232 (1998) 299 Towards quantitative diatomics-in-molecules model for the water molecule, B.L. Grig- orenko, A.V. Nemukhin and V.A. Apkarian 232 (1998) 321 Supersonic beams Fluorescence lifetime of rovibrational states of h,-acetaldehyde and spectra of d,- acetaldehyde, S.-H. Jen, T.-J. Hsu and I.-C. Chen 232 (1998) 131 Laser photodissociation of ketene at 230 nm, M. Castillejo, S. Couris, E. Lane, M. Martin and J. Ruiz 232 (1998) 353 Liquids neat Water anomalies and the double-well Takahashi model, C.H. Cho, S. Singh and G.W. Robinson 32 (1998) 329 ho Liquid mixtures and solutions A frequency-resolved cavity model (FRCM) for treating equilibrium and non-equilibrium solvation energies, M.V. Basilevsky, I1.V. Rostov and M.D. Newton 232 (1998) 189 A frequency-resolved cavity model (FRCM) for treating equilibrium and non-equilibrium solvation energies. 2: Evaluation of solvent reorganization energies, M.D. Newton, M.V. Basilevsky and I.V. Rostov 232 (1998) 201 Vibrational energy transfer processes in dye molecules after ultrafast excitation of skeletal modes, T. Dahinten, J. Baier and A. Seilmeier 232 (1998) 239 Molecular dynamics studies of NaCl solutions in methanol—water mixtures. An effect of NaCl on hydrogen bonded network, E. Hawlicka and D. Swiatla-Wojcik 232 (1998) 361 Crystals Effect of pressure and temperature on the H-atom tunneling in solid phase chemical reactions. The acridine /fluorene system, L.I. Trakhtenberg and V.L. Klochikhin 232 (1998) 175 Metals and alloys A theoretical study of the electronic structure and spectroscopic properties of the low-lying electronic states of the molecule AISi, F.R. Ornellas and S. Iwata 232 (1998) 95 Surfaces Dependence of volume-produced H™ ions on the wall recombination probability of H atoms in a low pressure H, positive column, J. Loureiro and J. Amorim 232 (1998) 141 382 Subject index to volume 232 Low-dimensional materials A Valence-Bond /Hartree—Fock method to determine the Hubbard transfer integrals in organic conductors, F. Castet, L. Ducasse and A. Fritsch 232 (1998) 37 Plasmas Dependence of volume-produced H™ ions on the wall recombination probability of H atoms in a low pressure H, positive column, J. Loureiro and J. Amorim 232 (1998) 141 Microscopic and mesoscopic systems Single atoms, molecules and assemblies (incl. biological) Theoretical study of the Cl 1s and 2p near edge photoabsorption spectra of HCl by accurate ab-initio configuration interaction and density functional approaches, G. Fronzoni, M. Stener, P. Decleva and G. De Alti 232 (1998) 9 Molecules (neutral and ionic) -diatomic Bonding in molecular dications from the classical valence bond viewpoint. A case study of CO?*, R. Polak 232 (1998) 25 A theoretical study of the electronic structure and spectroscopic properties of the low-lying electronic states of the molecule AlSi, F.R. Ornellas and S. Iwata 232 (1998) 95 Effect of the angular dependence of the barrier height on the features of the F +H, reaction, V.M. Azriel, L.Yu. Rusin, M.B. Sevryuk and J.P. Toennies 232 (1998) 307 Ab initio variational calculation of dynamic polarizabilities and hyperpolarizabilities. I. Polarizability and quadratic hyperpolarizability of water, carbon monoxide and hydrogen fluoride, A. Lembarki, C. Barbier, Ph. Lemaire and E.N. Svendsen 232 (1998) 343 -small polyatomics Ultrafast laser control of vibrational dynamics for a two-dimensional model of HONO, in the ground electronic state: separation of conformers, control of the bond length, selective preparation of the discrete and the continuum states, M. Oppel and G.K. Paramonov 232 (1998) 111 Fluorescence lifetime of rovibrational states of h,-acetaldehyde and spectra of d,- acetaldehyde, S.-H. Jen, T.-J. Hsu and I.-C. Chen 232 (1998) 131 Pathway approach to ultrafast photochemistry: potential surfaces, conical intersections and isomerizations of small polyenes, W. Fu, S. Lochbrunner, A.M. Miiller, T. Schikarski, W.E. Schmid and S.A. Trushin 232 (1998) 161 Quantitative studies of the photoabsorption (4.5—488 eV) and photoionization (9—59.5 eV) of methyl iodide using dipole electron impact techniques, T.N. Olney, G. Cooper and C.E. Brion 232 (1998) 211 Ab initio study of excited-state intramolecular proton dislocation in salicylic acid, A.L. Sobolewski and W. Domcke 232 (1998) 257 Ab-initio study of a radiative association mechanism application to the CH; + H, reaction, D. Talbi and M.C. Bacchus-Montabonel 232 (1998) 267 Ab initio variational calculation of dynamic polarizabilities and hyperpolarizabilities. I. Polarizability and quadratic hyperpolarizability of water, carbon monoxide and hydrogen fluoride, A. Lembarki, C. Barbier, Ph. Lemaire and E.N. Svendsen 232 (1998) 343