Table Of Content

MjOourLnaEl CofU LAR LIQUIDS £1! ELSEVIER Journal of Molecular Liquids 61 (1994) vii CONTENTS Special issue: Teresa Fonseca Memorial issue Part |, Volume 60 Si Doice Malia Teresa Fonseca, Early Years .......... Scientific evolution of a researcher: Teresa Fonseca from talented student to original author ... Remembering Teresa Fonseca Publications of Teresa Fonseca Solvation dynamics in methanol: solute and perturbation dependence T. Fonseca and B.M. Ladanyi (Fort Collins, CO, USA) Solvation dynamics in methanol: experimental and molecular dynamics simulation studies S.J. Rosenthal, R. Jimenez, G.R. Fleming (Chicago, IL, USA), P.V. Kumar and M. Maroncelli (State College, PA, USA) Molecular solvent-dynamical effects on activated electron-transfer kinetics: how important is solvent friction? M.J. Weaver (West Lafayette, IN, USA) Dynamics of inner- and outer-sphere electron transfer in a polar solvent Y. Dakhnovskii (Santa Barbara, CA, USA) A simple solvent model for electron transfer reactions M. Cossi, M. Persico and J. Tomasi (Pisa, Italy) Simulation of soivent isotope effects on aquous ferrous and ferric ions C.L. Kneifel (Stony Brook, NY, USA), M.D. Newton (Upton, NY, USA) and H.L. Friedman (Stony Brook, NY, USA) On the validity of Marcus relationship for dissociative electron transfer reactions in solution V. Perez, J.M. Lluch and J. Bertran (Barcelona, Spain) Dynamics of twisted intramolecular charge transfer complexes in polar solvents T. Fonseca (Fort Collins, CO, USA), H.J. Kim (Pittsburgh, PA, USA) and J.T. Hynes (Boulder, CO, USA) Ultrafast experiments on intermolecular electron transfer in the benzene—bromine atom charge transfer complex R.E. Schlief, W. Jarzeba, K.A.M. Thakur, J.C. Alfano, A.E. Johnson and P.F. Barbara (Minneapolis, MN, USA) Effects of long-range interactions on the dynamics of ions in aqueous solution G.S. Del Buono, T.S. Cohen and P.J. Rossky (Austin, TX, USA) .................... cccc cc eeeceeee eee Light metal ions in water: Quantal and classical simulations for ’Li* J.P. Prates Ramalho, N.D.S. Cordeiro and J.A.N.F. Gomes (Porto, Portugal) Reaction dynamics for heavy particle charge transfer reactions in polar solvents and ion dielectric friction A.M. Berezhkovskii and S.A. Dudko (Moscow, Russian Federation) .............................5 . 251 lonic diffusion in dynamicaliy-disordered materials: Motion on a renewing, percolative lattice M.C. Lonergan, A. Nitzan and M.A. Ratner (Jerusalem, Israel) ............. Part Il, Volurrie 61 Si Dolce Malia Stability and acidity of salicylic acid roatmers in aqueous solution: A continuous model study G. Alagona and C. Ghio (Pisa, Italy) Quantum simulation study of proton-transfer reactions in solution: from a molecular to a stochastic description H. Azzouz and D. Borgis (Paris, France) viii Quantum effects on the solvent contribution to the activation free energy M. Ferrario (S. Agata di Messina, Italy), D. Laria (Buenos Aires, Argentina), G. Ciccotti (Orsay, France) and R. Kapral (Toronto, Ont., Canada) A primer for valence bond mixing and avoided crossing: general paradigms in chemical reactivity S. Shaik (Jerusalem, Israel) On the activation free energy of the Ci- +CH,C! S,2 reaction in solution J.R. Mathis (Boulder, CO, USA), R. Bianco and J.T. Hynes (Boulder, CO, USA) Density functional for an electron system in a homogeneous dielectric environment A.A. Kornyshev (Julich, Germany) and A.M. Kuznetsov (Moscow, Russian Federation) Computer simulation of the molecular shape effect on liquid properties of chlorobutanes C. Millot, J. Jadzyn and J.L. Rivail (Vandoeuvre-les-Nancy, France) Comparisons between the reactivity of chlorine dioxide in the gas phase and water solution V. Vaida, K. Goudjil (Boulder, CO, USA), J.D. Simon and B.N. Flanders (La Jolla, CA, Classical theory of ultrafast pump-probe spectroscopy: applications to |, photodissociation in Ar solution R.M. Whitnell, K.R. Wilson, Y.J. Yan (La Jolla, CA, USA) and A.H. Zewail (Pasadena, Intramolecular transfer of excitation energy in sequential oligopeptides carrying naphthalene and protoporphyrin chromophores B. Pispisa, M. Venanzi, A. Palleschi and G. Zanotti (Rome, Italy) Ground and singlet excited state configurations and dynamics of the oligothiophenes. Theoretical and experimental studies J.L. Houben (Pisa, Italy), R. Cimiraglia (Ferrara, Italy), A. Carpita and M. Ciofalo (Pisa, Polyelectrolyte chain dimensions K. Krishnaswamy and M. Fixman (Fort Collins, CO, USA) IR spectroscopic investigations of peculiar behaviour of 4,n-alkoxybenzoic acids in their mesomorphic state |. Non-aligned samples M. Petrov, E. Anachkova, N. Kirov (Sofia, Bulgaria), H. Ratajczak and J. Baran (Wroclaw, Poland)