Table Of Content

CONTENTS Special Issue: Applied Theoretical Chemistry 1990. Part Il Part | was published in J. Mol. Struct. (Theochem), 230 On geometric measures of chirality A.B. Buda and K. Mislow (Princeton, NJ, USA) Chirality forces and chiral discrimination R.G. Woolley (Nottingham, UK) Electron chirality R.A. Hegstrom (Winston-Salem, NC, USA) Single- and multi-photon circular and elliptical dichroism — the effects of permanent multipole moments and molecular structure W.J. Meath and A.E. Kondo (London, Ont., Canada) Dyson-type boson mapping for the electron excitation problem in molecules S. Ohkido (Aichi, Japan) and O. Tanimoto (Osaka, Japan) Second quantization and exchange perturbation theory for intermolecular interactions. The basis set superposition error problem P.R. Surjan and |. Mayer (Budapest, Hungary) The algebraic modelling of chemical structures: on the development of three-dimensional molecular descriptors Z. Milhalié and N. Trinajstié (Zagreb, Yugoslavia) Static second-order polarizabilities of aminobenzophenones and nitrobenzophenones C.E. Moore (Huntsville, AL, USA) and B.H. Cardelino (Atlanta, GA, USA) The role of induction forces in infra-red matrix shifts: quantum chemical calculations with reaction field model hamiltonian Y. Hannachi and J.G. Angyan (Paris, France) Studies of the linkage and bonding of triatomics in transition metal complexes. Part 2. NCS~ complexes D.F.-t. Tuan and J.W. Reed (Kent, OH, USA) and R. Hoffmann (ithaca, NY, USA) An ab initio study of simple 1,3-cyclodisiloxane derivatives A. Somogyi, J. Tamas and A.G. Csaszér (Budapest, Hungary) Rotational barriers for selected polyfluorobipheny! (PFB), polychlorobipheny! (PCB) and polybromobipheny| (PBB) congeners T.-H. Tang, M. Nowakowska, J.E. Guillet and |.G. Csizmadia (Toronto, Ont., Canada) Novel carbon suboxides and subsulphides (C,;0,, C.S2, C402 and C,S,.): assignment of UV and IR spectra by quantum chemical calculations R. Janoschek (Graz, Austria) Carboxylic acid enols from the hydration of ketenes: a theoretical investigation J. Andraos, A.J. Kresge, M.R. Peterson and |.G. Csizmadia (Toronto, Ont., Canada) The symmetry group of labile intramolecularly hydrogen-bonded naphthazarin C.J.H. Schutte, S.O. Paul and D. Réhm (Pretoria, South Africa) Intramolecular hydrogen bonding in 2-aminoethanol, 3-aminopropanol and 4-aminobutanol A.-M. Kelterer and M. Ramek (Graz, Austria) Ab initio study on thermal dissociation of diazo compounds F. Wang, M.A. Winnik, M.R. Peterson and |.G. Csizmadia (Toronto, Ont., Canada) Mechanism of stereospecific chlorination of polyene via prolonged chemical doping K. Akagi, T. Kadokura and H. Shirakawa (Ibaraki, Japan) A refined theoretical investigation of the hydrogen-electrode processes of an alkaline hydrogen—oxygen fuel cell T.-H. Tang, |.G. Csizmadia, L. Pataki, R.D. Venter and C.A. Ward (Toronto, Ont., Canada) viii Theoretical analysis of torsional potential functions. Part Il. The rotational isomerization of glyoxal and related molecules C.W. Bock (Philadelphia, PA, USA) and A. Toro-Labbé (Santiago, Chile) A surface topological study of rigid rotor and fully optimized models of methanediol and fluoroethanol B.D. El-issa and R.N. Budeir (Safat, Kuwait) On the use of conformationally dependent geometry trends from ab initio dipeptide and oligopeptide studies in empirical peptide modeling L. Schafer and S.Q. Newton (Fayetteville, AR, USA), F.A. Momany (Waltham, MA, USA) and V.J. Klimkowski (Indianapolis, IN, USA) The utility of the four-dimensional Ramachandran map for the description of peptide conformations A. Perczel and M. Kajtar (Budapest, Hungary), J.F. Marcoccia and |.G. Csizmadia (Toronto, Ont., Canada) Prediction of protein secondary structures using a combined method based on the recognition, Lim and Garnier—Osguthorpe—Robson algorithms S. Thornton, E. San Fabian, S. Fraga, J.M.R. Parker and R.S. Hodges (Edmonton, Alb., Canada) An INDO study of environment effects on the dioxygen position of an oxymyoglobin model J. Bertran (Barcelona, Spain), M.F. Ruiz-L6pez and D. Rinaldi (Nancy, France) Corrigendum Author index