Volume 40 a Zeitschrift für Naturforschung 1985

Inhaltsverzeichnis

N u m b e r 1

Editorial: Zur G r ü n d u n g der Zeitschrift für Na tu r -forschung P. KARLSON 1

Original Communications

Heat Flow Birefringence in Liquids and Liquid Crystals D . R. BAALSS a n d S. HESS

Shock Wave in Condensed Matter Genera ted by Impulsive Load S. I. ANISIMOV a n d V. K . KRAVCHENKO

Stacking Faults in Ca(OH) 2 Produced by Vapour Phase Hydration G . SPINOLO a n d U. ANSELMI TAMBURINI 7 3

Solute-Solvent Interactions and High Spin ^ Low Spin Transitions in Ferric Di th iocarbamates P. GANGULI 79

Solvent Effects on the Kinetics and Mechanism of the Acid-Catalysed Hydrolysis of Dire/t .-butylsuc-cinate in Dioxane-Water Mixtures ADEL N . ASAAD a n d FAYEZ Y . KHALIL 8 4

8 Notes

Effective Interactions of Relativistic Compos i t e Par-ticles in Unif ied Nonl inear Spinor-Field Models. I H. STUMPF 14

On the Spinodal Decomposi t ion of Wol f rami te J . -CH. BUHL a n d A. WILLGALLIS 29

A Study of Port land C e m e n t Hydra t ion by Para-magnet ic Iron Suppression of Proton Magnet ic Resonance J. C . MACTAVISH, L. MILJKOVIC, L. J . SCHREINER, M. M. PINTAR, R. BLINC, a n d G . LAHAJNAR 32

Irreversible Anaerobic Photoreact ions of Phenylazo-pyrazolone-Dyes in Solution J. ZECHNER, N . GETOFF, a n d ST. STOYANOV "37

Nitrogen Q u a d r u p o l e Coupl ing in Ethyl Isocyanide, C2H5NC E. FLIEGE a n d H . DREIZLER 4 3

Direct Dete rmina t ion of the Anisot ropy of the Magnetic Susceptibility in Smectic Liquid Crystals G . ILLIAN, H . KNEPPE, a n d F . SCHNEIDER 46

ESR, Structure and React ions of Specifically Deu-terated C 6 - C 8 « -a lkane Cat ions in Halogena ted Matrices G . DOLIVO a n d A. LUND 52

On the Matching Spect rum of Rotagraphs A. GRAOVAC a n d D . BABIC 66

On the Equivalence of Electromagnet ic and Clock-Transport Synchronization in Noniner t ia l F rames and Gravitat ional Fields H. RUMPF 9 2

Elementary Derivation of the Dirac Equat ion . VIII H. SALLHOFER 9 4

Green 's Functions in Rober tson-Walker-Space G . SÜSSMANN a n d H . - D . RADECKE 96

N u m b e r 2

Original Communications

Three-Dimensional Reciprocal Form Factors an d M o m e n t u m Densities of Electrons f rom C o m p t o n Experiments. I. Symmetry-Adapted Series Expan-sion of the Electron M o m e n t u m Density E. HEUSER-HOFMANN a n d W. WEYRICH 9 9

Powder Zeeman Study of the Nuclear Q u a d r u p o l e Resonance Lower Transit ion Spectrum for 7 = 5 /2 ; Application to Or thoper iodic Acid S. RAMAPRABHU a n d K . V. S. RAMA RAO 112

A Molecular Dynamics Study of the Structure of an LiCl • 4 H 2 0 Solution P. BOPP, I. OKADA, H . OHTAKI, a n d K . HEINZIN-GER 116

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I nhaltsverzeichnis VII

The Chemical Shift of the 29Si Nuclear Magnetic Re-sonance in a Synthetic Single Crystal of Mg 2 Si0 4 N . WEIDEN a n d H . RAGER 126

A Note on Solutions of the Korteweg-de Vries Equa-tion K. MURAWSKI 193

Thermodynamics of Ag°-Solvation in Molten Silver Halides, Doped with Metal Halides T. LIESER a n d K . G . WEIL 131

1 9F High-Resolution Nuclear Magnetic Resonance Study of Structure and Properties of Crystalline 5VW-C 6C1 3F 3 Y. YOSHIOKA. N . NAKAMURA. a n d H . CHIHARA 137

The Effect of Structural Changes on the Polarizabili-ty and Second Hyperpolarizability in Some Benze-ne Isomers and Their Anions J. WAITE a n d M. G . PAPADOPOULOS 142

Pyramidic Mesophases H. ZIMMERMANN. R. POUPKO. Z . LUZ, a n d J. BIL-LARD 149

Monte-Carlo Calculations of the Electrical Resis-tance of Ultra-Thin Metal Films H . - U . FINZEL a n d P. WISSMANN 161

N u m b e r 3

Original Communications

On the Role of the Nonlocal Hartree-Fock (HF) Ex-change in Narrow-Band Materials M. C. BÖHM 195

Hydrogen Vacancy Diffusion Parameters in ScH2_x and SCD2_x from 45Sc Spin-Lattice Relaxation Time Measurements M . JEROSCH-HEROLD, L.-T. LU, D . R . TORGESON, D . T. PETERSON. R. G . BARNES, a n d P. M. RICHARDS 2 2 2

On the Magnetic behaviour of Tetrakis [2-Diethyl-amino-Ethanolat io-/z3-0-Copper(II)-Isocyanate] • Trichloromethane, C28H 5 6 Cu 4 N 8 0 8 • CHC13, a Tetrameric Copper(I I ) Complex with Antiferro-magnetic G r o u n d State L. SCHWABE a n d W . HAASE 229

An Upper Limit for Birefringence in the Boundary Layer of a Heart Conduct ing Gas H. VAN HOUTEN, W . A. VON MARINELLI. a n d J. J . M. BEENAKKER 164

A 94 G H z EPR Spectrometer with Fabry-Perot Resonator E. HAINDL, K . MÖBIUS, a n d H . OLOFF 169

A Phenomenological Theory of Gravitation Based on a Generalization of the Special Relativistic Energy Aspect F. SPIEWECK 173

Effective Interactions of Relativisic Composite Particles in Unified Nonlinear Spinor-Field Models. II H. STUMPF 183

Notes

Neutron Diffraction with the Metallic Glass Ni 3 1 Dy 6 9 ( + 10 a / o D) Using Isotopic Substitution A. WILDERMUTH. P. LAMPARTER. a n d S. STEEB 191

Vibrational Spectra and Force Constants of Symme-tric Tops VL. Spin Flip Raman Laser Spectra and Rotational Analysis of (v1 + v2) of CF3C1 and CF3Br M. K. HAJ-ABDALLAH. H . PASCHER. H. G . HÄFELE. A. RUOFF a n d H . ESSIG 2 3 3

Fast Reactions Involving Radical-Cations During their Geminate Recombinat ion as Studied by the O D ESR Method V. O. SAIK. O . A. ANISIMOV, V. V. LOZOVOY a n d Y u . N . MOLIN 239

An Application to H t of Laplace Type Integral Transform and its Inverse M. PRIMORAC a n d K . KOVACEVIC 246

The ESR-absorption of Antiferromagnetic Com-pounds and its Deviation from the Lorentzian Profile (In German) K. DRÄGER 251

On the Habit of Blue Phase II Liquid Single Crystals TH. BLÜMEL a n d H . STEGEMEYER 2 6 0

Inhaltsverzeichnis VII

Determinat ion of a High Barrier Hindering Internal Rotat ion f rom the G r o u n d State Spectrum. The Methylbarr ier of 1-Butyne G . BESTMANN a n d H . DREIZLER 263

A Redeterminat ion of the Barrier to Internal Rota-tion of 2 -F luoropropene G . BESTMANN a n d H . DREIZLER 267

Determinat ion of a High Barrier Hinder ing Internal Rotat ion f rom the G r o u n d State Spectrum. The Methylbarr ier of P ropane G . BESTMANN, W. LALOWSKI a n d H . DREIZLER 271

Anomalous Tempera tu re D e p e n d e n c e of the 127I-Quadrupo le Coupl ing in (C 6 H 5 ) 4 PI04 , (C 6 H 5 ) 4 ASI0 4 and ( C 6 H 5 ) 4 S b I 0 4 P. K . BURKERT a n d D . G . KLOBASA 2 7 4

Photochemical (2 + 2) Cycloaddi t ions to the C = N Double Bond - a Theoretical Study on the Regio-selectivity (In G e r m a n ) W. FABIAN 279

The Nuclear Magnetic Shielding of the 1 9F-Nuclei in K Z n F 3 R. GROSESCU a n d U . HAEBERLEN 283

Effective Interact ions of Relativistic Composi te Par-ticles in Unif ied Nonl inear Spinor-Field Models. I l l H. STUMPF 2 9 4

N u m b e r 4

Original Communications

The Reflectivity of Rb and Cs Suboxides (In G e r m a n ) G . METSCH, W . BAUHOFER, a n d A . SIMON 303

Influence of Quench ing upon the Rotat ional Depo-larization of Fluorescence A. KAWSKI, Z . KOJRO, a n d A . KUBICKI 313

Determinat ion of Partial Photochemical Q u a n t u m Yields of Reversible Photoisomerizat ions of Stil-bene-1 Derivatives G . GAUGLITZ, R. GOES, W . STOOSS, a n d R . RAUE 317

The C - C l Bonds in a-2.4.6-tr is( t r ichloromethyl)-1,3,5-trioxane. a -Parachlora l , ( C l 3 C C H O ) 3 . A 35C1-NQR Single Crystal Study M. HASHIMOTO. N . WEIDEN, a n d A. WEISS 324

On the Chemical Bonding in the Intermetal l ic B32-Type C o m p o u n d s LiMe (Me = AI. Zn . Ga, Cd. and In) P. C . SCHMIDT 335

! H N M R and Differential Scanning Calor imetry Studies of Molecular Motion and Phase Transit ion in Buty lammonium Iodide S. FUKADA, R. IKEDA, a n d D . NAKAMURA 347

Deuter ium N Q R Spectra: Dipolar Interact ion Be-tween Two Quadrupo la r Nuclei N. HADIPOUR a n d J. L. RAGLE 355

Nitrogen-14 Quadrupo le Coupl ing Constants in Pro-panedinitri le, C H 2 ( C N ) 2 , by Microwave Spectros-copy A. P. C o x , Y . KAWASHIMA, E. FLIEGE, a n d H . DREIZLER 361

Kinetics of the C e 3 + / B r 0 2 - R e a c t i o n in Sulfuric Acid Medium H. D . FÖRSTERLING, H . J . LAMBERZ, a n d H. SCHREIBER 368

Molecular Vibrations of Aluminum Trichloride Mono-mer with Applicat ion of the Keat ing Bendings T. MOGSTAD, S. J . CYVIN, B. N . CYVIN, J . BRUNVOLL, a n d G . DIAZ FLEMING 3 7 3

Exact Green ' s Funct ion for the Finite Rectangular Potential Well in One Dimens ion R. BALTIN 379

Vibrational Spectra and Force Constants of Symme-tric Tops, XLVII. Rovibrat ional Spectra of Three Monoisotopic H 3 GeCl Species in the v6 Region H. BÜRGER, P. SCHULZ, a n d S. CRADOCK 383

The Ground State Rotat ional Constants of H 3 SiD H. BÜRGER. A. RAHNER. a n d J . KAUPPINEN 386

An Electron Spectroscopical In terpreta t ion of the Conformat ion of Dimeric Porphine Derivatives by the Extended Dipole Model (In G e r m a n ) B. VON MALTZAN 389

I nhaltsverzeichnis VII

Effect of Finite Ion Tempera ture and Modulat ional Instability of Ion-Acoustic Waves in Presence of an Inhomogeneous Plasma S. BHATTACHARYYA

a n d R . K . ROY CHOUDHURY 421

Concentrat ion Fluctuat ions in Liquid Alloys of Al-kali Metals from Semiempirical Theories of Mix-tures L. J . GALLEGO, J . A . ALONSO, a n d J . A . SOMOZA 4 2 5

Notes

Thermospray Mass Spectrometry, a New Technique for Studying the Relative Stability of Cluster Ions of Salts G . SCHMELZEISEN-REDEKER, S. S. WONG, U. GIESSMANN, a n d F . W . RÖLLGEN 4 3 0

ESR Study of Molecular Order ing in 50.1, 50.2 and 50.4 N . V. S. RAO. V. G . K . M . PISIPATI, P. V. DATTA PRASAD, a n d D . SARAN 4 6 9

Density, Refractive Index and Ultrasonic Velocity Studies Involving N-(p-n-Pentyloxybenzylidene)-p-n-octylaniline V. G . K . M . PISIPATI, N . V. S. RAO, P. V. DATTA PRASAD, a n d P. R. ALAPATI 4 7 2

Analysis of "Ho t " Bands Associating to the v2 Fun-damental Band of HC5N 1

K. M. T. YAMADA a n d G . WINNEWISSER 4 7 6

Surface Analysis and Structures Spherical Crystals of Very Clean Au, Cu and Au-Cu Alloys Grown from a Drop of Melt B. GROSSER a n d E . MENZEL 4 7 9

N u m b e r 5

Original Communications

Electronic Structure of a Single Hydrogen Centre in Magnesium Crystals R. DUSCHER a n d J . K . MAICHLE 4 3 3

Lattice Statics of a Hydrogen Centre in Magnesium B. BRATSCHEK. B. RAGER, a n d H . - J . VOLKERT 4 3 9

Asymptotic Freedom and Q C D Scaling Law J . SIDHANTA a n d R. ROYCHOUDHURY 4 5 0

Numerical Investigation of Laser Oscillation in a Re-combining Hydrogen Plasma Interacting with He-lium Gas in TPD-I T. ODA a n d U. FURUKANE 4 8 5

The Structure of Some Univalent Metal Nitrate Melts Studied by Means of Pulsed Neut ron Dif-fraction T. YAMAGUCHI, Y . TAMURA, I. OKADA. H. OHTAKI, M . MISAWA, a n d N . WATANABE 4 9 0

On the Photoluminescence of Thiophene Benzo-logues (In German) M. ZANDER 4 9 7

Group Theoretic Approach to the Exponential Co-sine Screened Cou lomb Potential B. ROY ( n e e GHOSH) a n d R. ROY CHOUDHURY 4 5 3

Time Quantizat ion and Q u a n t u m Mechanics (In German) M. BÖRNER 4 5 6

The Energy Dependence of the Imaginary Nuclear Potential E. F . HEFTER 4 6 2

Smectic C to Nemat ic Phase Transition Studies in NOBA N . V. S. RAO a n d V. G . K . M . PISIPATI 4 6 6

Cathodoluminescence of the Rare Earth Activated Host Lattices S r 3 La 2 W 2 0 1 2 and Ca2Lao.5Na0.5-W 0 6 (In German) R. BRAUN, R. OTTO. W . WISCHERT, a n d S. KEMMLER-SACK 5 0 3

The Rotational Spectrum of Propane Centr i fugal Distortion Analysis G . BESTMANN, H . DREIZLER, J . M . VACHERAND, D . BOUCHER, B. P. VAN EIJCK, a n d J . DEMAISON 5 0 8

Electron Paramagnetic Resonance and Optical Ab-sorption Spectra of V 0 2 + in CsCl Single Crystals G . ELBERS a n d G . LEHMANN 511

Inhaltsverzeichnis VII

The Stability of Rare Gas Clusters by Ionization E. E . POLYMEROPOULOS, S. LÖFFLER, a n d J . BRICKMANN 5 1 6

Molar Volume of Molten Binary CaCl2-NaCl, LaCl3-NaCl, and LaCl3-CaCl2 and Ternary LaCl3-CaCl2-NaCl Systems K . IGARASHI, Y . IWADATE, H . OHNO, a n d J . MOCHINAGA 5 2 0

Hyperchaos in the Post-Breakdown Regime of p-Germanium J . PEINKE, B. RÖHRICHT, A. MÜHLBACH, J . PARISI, C H . NÖLDEKE, R. P. HUEBENER, a n d O . E . RÖSSLER 5 6 2

Pyroelectricity of Molecular Crystals: Benzene Deri-vatives T. ASAJI a n d A. WEISS 567

Singlet Mechanism for Trans -> Cis Photoisomeriza-tion of Quaternary Salts of 4-Substituted 4'-Aza-stilbenes (R = CN, H, CH3 , and OCH 3 ) and their Quinolinium Analogues. VIII H . GÖRNER, A. FOJTIK, J . WRÖBLEWSKI, a n d L. J . CURRELL 525

Notes

Transitivity of "Gravitational Transformations" F. SPIEWECK 538

5 7Fe Isomer Shift Calibration Experiment H . DANIEL, F. J . HARTMANN, a n d B. PITESA 539

N u m b e r 6

Original Communications

Thiophosphonyl Radicals. Photolytic Generation and Reactivity Towards Olefinic Compounds T. SUMIYOSHI, W . WEBER, a n d W . SCHNABEL 541

Glass Forming Ability of GeTeSn with Tin Concen-tration and Initial Conditions B. ARCONDO, G . QUINTANA, a n d H . SIRKIN 5 4 4

Mössbauer and X-Ray Studies on Splat Cooled SnGeCu Alloy H . SIRKIN, B. ARCONDO, E. DUHALDE, E . NASSIF, a n d G . QUINTANA 5 4 8

Evaluation of Partial Structure Factors in the Small ^-Region with Amorphous Ni8 0P2 0 by Neutron Diffraction Using Isotopic Substitution K . SCHILD, F . FRISIUS, P. LAMPARTER, a n d S . STEEB 551

Temperature Dependence of Limiting Fluorescence Anisotropy of POPOP in Cellulose Acetate Film A. KAWSKI, A . KUBICKI, I. WEYNA, a n d I. JANIC

559

Determination of a High Potential Barrier Hindering Internal Rotation from the Ground State Spec-trum. The Methylbarrier of Ethylbromide J . GRIPP, H . DREIZLER, a n d R. SCHWARZ 575

Dielectric Relaxation in Binary and Ternary Mixtures of Ethanol, Water, and Benzene or n-Hexane H . UTZEL a n d M . STOCKHAUSEN 588

CH 3 Rotational Tunnelling in Alkali Acetates and Correlation between N M R Spin-Lattice Relax-ation and Neutron Scattering Data A.-S. MONTJOIE a n d W . MÜLLER-WARMUTH 5 9 6

Interrelation between Molecular Motions and Phase Transitions in Monomethylammonium Perchlo-rate. A Study by DSC, Proton, and Deuteron NMR S. JURGA a n d H . W . SPIESS 6 0 2

A Reactive System with Diffusive Transport Display-ing Two Different Symmetry-Breaking Dissipative Structures A. FERNANDEZ a n d O . SINANOÖLU 611

Conformational Investigations of Tetrahydroisoqui-noline and Tetrahydronaphthalene-Semiquinones by ESR-Spectroscopy (In German) K . SCHEFFLER, K . STOLZE, a n d H . B. STEGMANN 619

Megahertz Dielectric Relaxation in the Nematic Phases of 4,4'-di-n-propyloxyazoxybenzene and 4,4'-di-n-pentyloxyazoxybenzene N . X. PHUC, W . OTOWSKI, J . CHRUSCIEL, H . KRESSE, S. URBAN, a n d S. WRÖBEL 627

Effect of Pressure on Strongly Polar Liquid Crystals S. K . PRASAD, S. PFEIFFER, G . HEPPKE, a n d R . SHASHIDHAR 6 3 2

Inhaltsverzeichnis VIII

On Topology-Property Relations of Poly cyclic Aro-matic Hydrocarbons M . ZANDER 6 3 6

Coriolis Coupling Constants and Inertia Defect of Urea M . CAMPOS-VALLETTE, C . A. ACEVEDO-GONZALEZ, G . DIAZ F., a n d R . PENA C. 6 3 9

An Intermolecular Potential Function for Cyclen-Water Derived from Ab-initio Molecular Orbital Calculations SUPOT V. HANNONGBUA a n d B. M . RODE 6 4 4

Notes

A Note on the Stratified Turbulent Flow with no Shear A. K. CHAKRABORTY a n d H. P. MAZUMDAR 6 4 9

Elementary Derivation of the Dirac Equation. IX H . SALLHOFER 6 5 1

N u m b e r 7

Original Communications

Rate Dependent Constitutive Equations of Cyclic Softeni.g J. S. MSHANA a n d A. S. KRAUSZ 6 5 3

Generalized Hamiltonians, Functional Integration and Statistics of Continuous Fluids and Plasmas H. TASSO 6 6 6

Laser-Desorbed Large Molecules in a Supersonic Jet H. v . WEYSSENHOFF, H. L. SELZLE, a n d E . W . SCHLAG 6 7 4

Properties of Cold Condensed Silver Chloride and of Cocondensed Silver/Silver Chloride Films. - I. UV-VIS-Spectra H. GOTTWALD, T. LIESER. K . G . WEIL, a n d A. WEISS 6 7 7

J-Dependence of T2-Parameters for Rotational Transitions of S 0 2 and CH 3 OH in A^-Band S. C . MEHROTRA, H. DREIZLER, a n d H . MÄDER 6 8 3

The Pressure Dependence of the Phase Diagram t-Butanol/Water M . WOZNYJ a n d H . - D . LÜDEMANN 6 9 3

Photoluminescence and Sensitized IR Emission of the Trivalent Rare Earths in Ca 3 La 2 Te 2 0i 2 (In German) H . - D . AUTENRIETH, B. KOTTMANN, a n d S. KEMM-LER-SACK 699

Photoelectron Spectra and Electronic Structure of Some Steroids N . BHACCA a n d L. KLASINC 706

Synthesis, Vibrational Spectra and Normal Coordi-nate Analysis of Cesium-Hexathiohypodiphospha-te Cs4P2S6 S. J . CYVIN, B. N . CYVIN, C . WIBBELMANN, R . BECKER. W . BROCKNER. a n d M . PARENSEN 7 0 9

Molecular Vibrations of Gallium Trichloride Mono-mer with Application of the Keating Bending B. N . CYVIN, S. J . CYVIN, G . DIAZ FLEMING, T. MOGSTAD, a n d E . RYTTER 7 1 4

On the Interpretation of the Influence of Substituents on the UV Spectra of W . F A B I A N 719

Crystal Structure of [N,N'-di(n-propyl)-4.4'-bipyridi-nium]2+(7,7,8,8-Tetracyano-p-quinodimethanide)|~ G . J . ASHWELL a n d S. C . WALLWORK 726

Evidence of Back Charge Transfer in DMBP-TCNQ 3 G . J . ASHWELL, G . H . CROSS, I . M . SANDY, W . WACLAWEK. a n d M . ZABKOWSKA 731

Qualitative Properties of Autocatalytic Reactions Occurring in a Flow System S. H . KIM a n d V. HLAVACEK 736

Interferences with an Plane Parallel Plate Near the Critical Angle of Total Reflection K . EIDNER. G . MAYER, a n d R. SCHUSTER 7 4 8

Phototransformation of Air Pollutants: Rapid Test for the Determination of /cOH W. KLÖPFFER. G . KAUFMANN, a n d R. FRANK 6 8 6

Formfactors of Relativistic Composite Particle Inter-actions in Unified Nonlinear Spinorfield Models H . STUMPF 7 5 2

Inhaltsverzeichnis

N u m b e r 8

Original Communications

On the Theory of a Non-Periodic Quasilattice As-sociated with the Icosahedral Group P. KRAMER 7 7 5

Numerical Integration of the Navier-Stokes Equa-tions for a Disk Rotating in a Housing A. F. BORGHESANI a n d L. BRUSCHI 7 8 9

Pressure Effects of Foreign Gases on the 535.0 nm Fluorescence Line of Thallium E. LISICKI, A. BIELSKI, J . SZUDY, a n d J . WOLNIKOWSKI 8 0 0

An Investigation of Non-Equil ibrium Effects in Thermal Argon Plasmas C . J . TIMMERMANS, R . J . ROSADO, a n d D . C . SCHRAM 8 1 0

Finite-Resistivity Effects on Rayleigh-Taylor Insta-bility of a Stratified Plasma Including Suspended Particles R. SANGHVI a n d R . K . CHHAJLANI 8 2 6

Phonon Density of States and Debye Temperatures of BCC Transition Metals A. R. JANI 8 3 4

Calcium Isotope Effects in Ion Exchange Electro-migration and Calcium Isotope Analysis by Thermo-Ionization Mass Spectrometry Y . FUJII, J . HOSHI, H . IWAMOTO, M. OKAMOTO, a n d H . KAKIHANA 8 4 3

The Si -» S„ and Ti T„ Absorption Spectra of Some Anthracene Derivatives J . SZCZEPANSKI a n d J . HELDT 8 4 9

CNDO/S-CI Calculations of Some Carbonyl-con-taining Organic Luminophores with a Stilbene Subchromophore G . OLBRICH, P. NIKOLOV, F . FRATEV ( F ) , a n d O . E. POLANSKY 8 5 9

Notes The Molecular Electric Dipole Moment for 1,2,4-

Trifluorobenzene and a Comparison with Related Molecules J . SPIECKERMANN a n d D . H . SUTTER 8 6 4

VII

N u m b e r 9

Original Communications

Chaos-Induced Diffusion. Analogues to Nonlinear Fokker-Planck Equations H. FUJISAKA, S. GROSSMANN, a n d S. THOMAE 867

Electric Field Dependence of the Fluorescence In-tensity of Solute Molecules and Fourth Order Ef-fects H . BISCHOF a n d W . BAUMANN 8 7 4

Entropy Production in Oscillating Chemical Systems B. A . G . MÄNSSON 877

New Approach, Taking into Account Elastic and In-elastic Processes, for Transport Properties of a two Temperature Plasma C . BONNEFOI, J. AUBRETON, a n d J . - M . MEXMAIN

885

Raman, Visible and Ultra-violet Spectral Studies of Ionic Interactions in Molten Alkali Nitrate and Nitrite Systems K . SAKAI a n d T. NAKAMURA 892

ESR of NH 2 and N 2 H J Free Radicals Produced by G a m m a Irradiation in NH 3 OHCl, (NH 3OH) 2 -S 0 4 and N 2 H 6 S 0 4 F. KÖKSAL, O . £AKIR, i . GÜMRÜKFÜ, a n d M . BIREY 9 0 3

Internal Cation Mobilities in the Ternary Molten System (Li, Na, K ) N 0 3 of the Eutectic Composi-tion J . HABASAKI a n d I. OKADA 906

Vibrational Spectrum and Normal Coordinate Analysis of A1PS4 tetrahedral Chains (In German) C . WIBBELMANN, B. N . CYVIN, a n d S. J . CYVIN 9 0 9

The Microwave Spectrum of 3,4-Dihydro-l,2-Pyran J . C . LOPEZ a n d J. L. ALONSO 9 1 3

Boron Hyperfine Structure in Trifluorophosphine-Borane W . KASTEN, H . DREIZLER, a n d R. L. KUCZKOWSKI

9 2 0

Inhaltsverzeichnis VII

Topological Properties of Benzenoid Systems. Char-acterization of Certain Chemical Graphs I. GUTMAN a n d S. EL-BASIL 9 2 3

Valence Force Constants of Carbonyl Bonds in Naphthaldehydic Compounds as Chemical Bind-ing Correlation Parameters V. VARGAS, E . CLAVIJO, a n d R . G . E . MORALES 9 2 7

Determination and Analysis of the Physical Proper-ties of a New Class of Polar Nematic Liquid Crystals HP. SCHAD a n d S. M . KELLY 9 3 2

Bulk Polaritons in K2Mg2(S04)3 Observed by the ATR-Method M . BEHMER 9 4 4

Enthalpies of Mixing for Binary Liquid Mixtures of Monocarbonic Acids and Alcohols R. HAASE a n d R . LORENZ 9 4 7

Burgers Equation for Wave Propagation in an In-finite Stout-Wall Tube K . MURAWSKI 9 5 2

The Korteweg de Vries Equation for Wave Propaga-tion in an Infinitely Long Thin Walled Circular Cylinder Obtained via the Lagrangian Method K . MURAWSKI 9 5 5

Notes

On Chiral Symmetry Breaking in a Non-Simply Connected Space-Time P. ROY a n d R. ROYCHOUDHURY 957

N u m b e r 10

Original Communications

Hamiltonian Approach to Magnetic Fields with To-roidal Surfaces A. SALAT 9 5 9

Scalar Fluctuations from Extended Non-equilibrium Thermodynamic States R. E . NETTLETON 976

The Specific Heat of Ag2S in a-phase H . OKAZAKI a n d A . TAKANO 986

Vibrational Spectra and Force Constants of Sym-metric Tops. IL. The v3 Fundamenta l of Unsta-ble H3SnCl, H3SnBr. and H3SnI Studied by High Resolution FT Spectroscopy of Monoisotopic Species H . BÜRGER a n d M . BETZEL 989

Direct Calculation of Natural Orbitals of Two-Elec-tron Systems H . KLEINDIENST a n d K . ROSSEN 995

Molecular ^-values, Magnetic Susceptibility Aniso-tropics. Molecular Electric Quadrupole Moments, improved Molecular Electric Dipole Moments and 1 4 N-Quadrupole Coupling Constants of Acryloni-trile, H 2 C = C H - C N , and the Magnetic Suscepti-bility Tensor of the Nitrile Group M . STOLZE a n d D . H . SUTTER 998

Analytical Properties of Poincare Halfmaps in a Class of Piecewise-Linear Dynamical Systems C . KAHLERT a n d O . E . RÖSSLER 1011

Radiation Chemical Studies of the Oxidation of An-iline in Aqueous Solution LING QIN, G . N . R . TRIPATHI, a n d R. H . SCHÜLER 1026

Photoreactions of 2,6-Diphenyl-s-Hydrindacene-I,3,5,7-Tetrone and its Derivatives in Polar and Nonpolar Solvents I. TIMTCHEVA, J . ZECHNER. N . GETOFF. a n d ST. MINCHEV 1040

Phosphorescence of Cyclophanes and Cyclophane/ Ag+ Complexes H . HOPF a n d M . ZANDER 1045

Surface Excitations of a Compressible Cylindrical Liquid A. MÜLLER a n d S. GROSSMANN 9 6 8

Localization of Discrete Spectrum of Multiparticle Schrödinger Operators HEINZ K . H . SIEDENTOP 1052

Inhaltsverzeichnis VII

Monte Carlo Approach to Total JI-Electron Energy of Conjugated Hydrocarbons I. GUTMAN a n d M. RASKOVIC 1059

Gel 'fand-Yaglom Wave Equations based on the Rep-r e s e n t a t i o n ( 3 / 2 , 5 / 2 ) © ( 1 / 2 , 5 / 2 ) © ( - 1 / 2 , 5/2) © ( - 3 / 2 , 5/2) . Charge and Causal i ty C. G . KOUTROULOS 1062

Notes

The Tempera ture Coefficient of the Resistance of Ul-tra-Thin Metal Films f rom C o m p u t e r Simulat ions H . - U . FINZEL a n d P. WISSMANN 1066

Molecular Shape Descriptors. 2. Quant i ta t ive Struc-ture-Activity Relat ionships Based U p o n Three-Dimens ional Molecular Shape Descriptor I. MOTOC a n d G . R. MARSHALL 1114

Molecular Shape Descriptors. 3. Steric Mapp ing of Biological Receptor I. MOTOC, G . R . MARSHALL, a n d J . LABANOWSKI 1121

Kinetics an d Mechanism of the Change of the 4-Ni-trobenzylthio-System into 4 ,4 ' -Diformylazoxyben-zene in Alkal ine Dioxane-Water Media Y. RIAD, A. N . ASAAD, G . - A . S. GOHAR, a n d A. A. ABDALLAH 1128

N u m b e r 1 1

Original Communications

Vector Potential and Magnetic Field of Current -car -rying Finite Elliptic Arc Segment in Analytical Form L. URANKAR 1069

Tunnel ing Spectroscopy by Nuclear Magnet ic Reso-nance: Analysis of Rotat ional Tunne l ing in Solid Pentamethylbenzene W. T. SOBOL, K . R . SRIDHARAN, I. G . CAMERON, a n d M . M . PINTAR 1075

Isotope Effects on Deuter ium Spin-Latt ice Relaxa-tion in H 2 0 / D 2 0 Mixtures M. KAKIHANA, M . OKAMOTO, a n d T. NAGUMO 1085

Polarization Inhomogenei ty Effects in Microwave Fourier Transform Spectroscopy W. STAHL a n d H . DREIZLER 1096

Coupl ing Schemes for Cubic Complexes J. R. PERUMAREDDI 1133

The Polarizabili ty and Second Hyperpolarizabi l i ty of the Phenyl Cat ion M . G . PAPADOPOULOS a n d J. WAITE 1140

Quan tumchemica l Calculat ions on Nitrogen Bases. Part 3: Ab initio- and Semiempirical Calculat ions on the Protonaff ini ty of some Secondary, Tert iary and Branched Pr imary Aliphatic Amines (In Ger-m a n ) E. HEYNE, H . NIEPHAUS, G . RAABE, W . SCHLEKER, a n d J . FLEISCHHAUER 1143

Viscosity, Conduct ivi ty and Density of Fused Silver Chlor ide Doped with MeCl„ (Me = Li, K, Cs, Ba) in the Mole Fract ion Region 0 = -̂DOPANT G . G . W . GREENING a n d K . G . WEIL 1151

The Solution-State Conformat ions of 2,4,6-Tri-t-buty l -benza ldehyde and - th iobenzaldehyde H . LUMBROSO, J . CURE, R. OKAZAKI, A. ISHII, a n d N . INAMOTO 1157

Tempera ture Dependence of Regioselectivity and Excimer Equi l ibr ium in the Photodimer iza t ion of 9-Methylanthracene T . W O L F F 1105

Molecular Shape Descriptors. 1. Three -Dimens iona l Molecular Shape Descriptor I. MOTOC, G . R. MARSHALL, R. A. DAMMKOEHLER, a n d J . LABANOWSKI 1108

Notes

Diffract ion Pat tern and Layer Structure of a Quasi-lattice P. KRAMER a n d L. KRAMER 1162

Optical Absorpt ion Spectra of Vanadyl Ion ( Impur i -ties) in Three Host Crystal C o m p o u n d s O. P. AGARWAL a n d P. CHAND 1164

Inhaltsverzeichnis XII

Upper Bound for Total jr-Electron Energy of Benze-noid Hydrocarbons J. CIOSLOWSKI 1167

The Use of the Gauss-Chebyshev Q u a d r a t u r e in Est imation of the Total jr-Electron Energy of Ben-zenoid Hydrocarbons J. CIOSLOWSKI 1169

N u m b e r 12

Original Communications

The World is Steadily Coming to Be (In G e r m a n ) F. BOPP 1171

On Energy and Angular Distr ibutions of Electrons in Triplet Product ion E. HAUG 1182

Einstein Condensa t ion in a Macroscopic Field R. BRENDLE 1189

Semiempirical Theory of Solid Solubility in Transi-tion Metal Alloys J. M . LÖPEZ a n d J . A. ALONSO 1199

Intramolecular Dipole Reorientat ion and Dielectric Loss of Microwaves and Submil l imetrewaves in Diluted Solution. III. Methylethers (In G e r m a n ) G . KLAGES 1206

Microwave Absorpt ion in a Plasma Resonator oper-ated with Hydrogen G . HIMMEL a n d M . OSTERHOLD 1220

Mono- and Bistable Mixtures of Interacting An-tipodes A. KLEMM 1228

Refractive Index of Molten L i N 0 3 - K N 0 2 and N a N 0 3 - N a N 0 2 Systems Y. IWADATE. J. TOMINAGA. K . IGARASHI. a n d J. MOCHINAGA 1232

Molecular Dynamics Study of the Effect of Pressure on an Aqueous NaCl Solution G . JANCSÖ. K . HEINZINGER, a n d P. BOPP 1235

Crystal Structure and Vibrational Spectrum of Tl4P2Se6 (In G e r m a n ) W. BRÜCKNER, L. OHSE, U . PÄTZMANN. B. EISENMANN, a n d H . SCHÄFER 1248

N u m b e r of Kekule Structures of Five-Tier Strips S. J . CYVIN. B. N . CYVIN, a n d I. GUTMAN 1253

Boron and Nit rogen Hyperf ine Structure in the Mi-crowave Spect rum of Tr imethylamine-Borane W. KASTEN. H . DREIZLER. a n d R. L. KUCZKOWSKI 1262

XA SW Calculat ions for Tr imethyla luminium and Tr imethylborane (In G e r m a n ) H. SCHILDER a n d W . SCHLEKER 1265

Solvation of Coordinat ively Saturated Metal C o m -plexes of Nitrogen Ligands A. N . KITAIGORODSKII a n d A. N . BELYAEV 1271

MINDO-Forces Study on the Relative Stabilities of Hydroxy- and Aminopyr id ine Tautomers S. M . KHALIL 1278

Effects of Periodic and Stochastic Per turbat ions on Oscillations and Chaos in a Model of the Peroxi-dase-Oxidase React ion L. F . OLSEN 1283

The Reaction C H 2 O H Radicals with 0 2 Studied by Laser Magnet ic Resonance Technique S. DÖB£, F. TEMPS, T. BÖHLAND. a n d H . G G . WAGNER 1289

On the Validity of the Mull iken-Type Model in De-scribing the Benzene-Tetracyanoethylene C o m -plex J . CIOSLOWSKI a n d A. M . TUREK 1299

C N D O / S - C I - C a l c u l a t i o n s on the Circular Di-chroism of Disulf ide Linkages in Proteins in the Near UV (In G e r m a n ) H. NIEPHAUS. W. SCHLEKER. a n d J . FLEISCHHAUER 1304

Smectic A j - S m e c t i c A j Transit ion in Binary Mix-tures of C o m p o u n d s with Strongly Polar Ter-minal Groups CH. BAHR. G . HEPPKE. a n d R. SHASHIDHAR 1311

Inhaltsverzeichnis XIII

Phosphorescence Propert ies of [2.2] (1.4) Naphtha le -noparacyclophane and [2,2] (1,4) Chrysenopara -cyclophane and their Ground State Complexes with Silver Perchlorate (In G e r m a n ) H. HOPF, M. ZANDER, a n d J . HÜCKER 1316

Coordinat ion of Rhod ium(I I I ) in Dilute Aqueous Solutions in Presence of Chlor ide Anion R. CAMINITI, C. ATZEI, P. CUCCA. F . SQUINTU. a n d G . BONGIOVANNI 1319

A Spectroscopic Study of Pivalophenone, 2-Pivaloyl-furan, 2-Pivaloylthiophen and 2-Pivaloylseleno-phen, and their Sulphur Analogues C. G . ANDRIEU a n d H . LUMBROSO 1329

H. LUMBROSO. C . LI£GEOIS. a n d C . G . ANDRIEU 1338

Notes

A High-Resolut ion Time-of-Flight Mass Spectrome-ter Using Laser Resonance Ionization R. FREY, G . WEISS. H . KAMINSKI, a n d E. W. SCHLAG 1349

Has Liquid Fo rm am id e a Linear-Chain Structure or Ring-Dimer Structure? H. OHTAKI a n d S. ITOH 1351

Preferred Conformat ions of Pivalophenone, (2-Piva-loyl)- and (2-Aroyl)-furans, (2-Pivaloyl)- and (2- Sachverzeichnis Aroyl)-thiophens, (2-Pivaloyl)- and (2-Benzoyl)-selenophen, and their Sulphur Analogues Authors Index

1353

1359