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V o l u m e 38 a Zei tschr i f t f ü r N a t u r f o r s c h u n g

Inhaltsverzeichnis

1983

N u m b e r 1

Original Communications

On the Field-Induced Cholesteric-Nematic Transi-tion in Cholesteric Liquid Crystals with Horaeo-tropic Boundary Conditions J . B R O K X , G . VERTOGEN,

a n d E . W . C. VAN GROESEN 1

Surface Polariton Mode Densities W . ECKHARDT 1 0

Dipole Moment Functions of HF and HI Molecules Using an Anharmonic Potential M . H . K L U C K N E R a n d B . S E S H R A O 1 6

Evidence for Different Ferromagnetic Phases in Amorphous Fe4oNi4oB2o Detected by EPR R . GERLING a n d K . DRÄGER 2 0

Vibrational Spectra of Ag3PS4 and CU3PS4 (In German) U . PÄTZMANN a n d W . BRÜCKNER 2 7

IR Studies of Crystalline Methanol Films with Tex-tures F . F I S C H E R a n d R . F U H R I C H 3 1

Experimental Study of Ion Dynamic Effects in Overlapping Helium Lines at Low Densities A . P I E L a n d H . R I C H T E R 3 7

Intensity Analysis and Luminescence Spectra of Non-Aqueous Solutions of Europium Compounds J . LEGENDZIEWICZ, G . OCZKO,

a n d W . STREK 4 7

Photophysical Study of a Series of Cyanines. Part III. The Direct Photooxidation Reaction S . L E P A J A , H . STRUB, a n d D . - J . LOUGNOT 5 6

Semiempirical Calculation of the Rotational Barrier and Valence Force Constants in Fluorocarbonyl-sulfenyl Chloride A . H . J U B E R T , C . 0 . D E L L A VEDOVA, E . L .

VARETTI , 0 . E . P I R O , a n d P . J . A Y M O N I N O 6 1

Rotational Spectrum of Methylcyanoacetylene. A New Millimeter Wave Spectrometer M . BESTER, M . TANIMOTO, B . V O W I N K E L ,

G . W I N N E W I S S E R , a n d K . YAMADA 6 4

Evaluation of Activation Parameters for the N-In-version of 4-[(2,2-Dimethyl-aziridino-(l))-methyl]-2,6-di-tert.butyl-phenol by !H-DNMR (In German) V . F I S C H E R a n d K . SCHEFFLER 6 8

The Electronic Spectrum and Structure of Tetra-sulfur Dinitride M . H . PALMER a n d ( in p a r t ) R . H . FINDLAY 7 8

The Electronic Structure of Tetraphosphorus- and Tetraarsenic-Trisulphides; Interpretation of their Photoelectron Spectra M. H. P A L M E R and in part R. H. F I N D L A Y 78

Notes

Bäcklund Transformation Groups of Non-Linear Evolution Equations and the Painleve Property W . - H . S T E E B a n d W . O E V E L 8 6

Excess Free Energies in Molten CuCl-KCl-LiCl by EMF Measurements Z . GIAZITZOGLOU, H . E N G E L S ,

a n d U . SCHILLER 8 8

Dipole Moments and Configurations of Triaryl Acrilonitriles D . CARBONE, A . CHISARI , E . MONTONERI ,

G . C . PAPPALARDO, a n d G . SCARLATA 9 0

Raman Spectra of Dissolved Na4P2S6 • 6 H2O (In German) W . B R Ü C K N E R a n d U . PÄTZMANN 9 2

N u m b e r 2

Alfred Klemm zum 70. Geburtstag 95


On the Distribution of Isotopes in a Separation Column in Countercurrent Electromigration of Molten Binary Mixtures I . OKADA a n d A . L U N D E N 9 7

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Inhal t sverze ichnis IV

Chronoamperometric Determination of Solid State Diffusion Coefficients in Copper-Gold Alloys Using a Molten Salt Electrolyte F . LANTELME a n d M . CHEMLA 1 0 6

Coulomb Complexing and the Solubilization of Oxides in Halide Melts M . B L A N D E R a n d Z . NAGY 1 1 6

The Effect of Pressure on the Electrical Conduc-tivity of the Molten Halides of Mercury and the Molten Iodides of Cadmium, Gallium, and Indium B . CLEAVER a n d P . Z A N I 1 2 0

Fused Salt Concentration Cells with Transference Transport Numbers of Molten Alkali Chloride and Silver Chloride Mixtures R . CONRADT, J . R I C H T E R , a n d H . W E T T I C H 1 2 8

Internal Mobilities in Molten Systems (Na-K)N03

and (K-Cs)N03

CHAO-CHENG Y A N G , R . TAKAGI ,

a n d I . OKADA 1 3 5

Structural Investigation of the Metallic Glasses Mg85.5Cui4.5 and Mg7oZn3o E . N A S S I F , P . LAMPARTER, W . SPERL,

a n d S . S T E E B 1 4 2

Correlation of Zero Field Splittings and Site Dis-tortions V. Mn2+ in Cs2Zn3S4

M . H E M I N G a n d G . LEHMANN 1 4 9

Observation of the Zeeman Effect of Ozone by Doppler Free Laser Spectroscopy R . S C H I E D E R a n d G . W I N N E W I S S E R 1 5 4

Diode Laser Spectrum of OCS: The vi Band at 2062 cm"1

W . K L E B S C H , K . YAMADA,

a n d G . W I N N E W I S S E R 1 5 7

Vibrational Spectra of Tetraphosphorus Decasulfide P 4 S 1 0 (In German) M . SOMER, W . BITES, a n d W . BRÜCKNER 1 6 3

On the Operator Formulation of the Polyatomic Molecule Partition Function J . BOHMANN a n d W . W I T S C H E L 1 6 7

Estimates of Dielectric Shifts in Infrared Spectra of Pure Liquids for Use in the Theoretical Evalu-ation of Vapor Pressure Isotope Effects B . MA E SSE N a n d M . W O L F S B E R G 1 9 1

Topological Effect on MO Energies, II. On the MO Energies of Structurally Related Aza-arenes 0 . E . POLANSKY, M . Z A N D E R , a n d I . MOTOC 1 9 6

A New Class of Organic Luminophores With a Stil-bene Chromophore: 3-Phenylmethylene-l(3H)-Isobenzofuranones P . N I K O L O V , F . F R A T E V , a n d S . M I N C H E V 2 0 0

The Dependence of the Internal Vibrational Fre-quencies of Liquid Water on Central Force Po-tentials G . JANCSÖ a n d P . B O P P 2 0 6

A Molecular Dynamics Study of the Structure of an Aqueous CsF Solution G Y . I . SZASZ a n d K . H E I N Z I N G E R 2 1 4

Complex Formation in an Aqueous ZnBr2 Solution Based on Electron Diffraction, X-Ray Scattering and Raman Spectra E . K A L M A N , I . S E R K E , G . P A L I N K A S ,

G . JOHANSSON, G . K A B I S C H , M . M A E D A ,

a n d H . O H T A K I 2 2 5

The Molecular Structure and Hydrogen Bond Ge-ometry in Liquid Formamide: Electron, Neutron, and X-Ray Diffraction Studies E . K Ä L M Ä N , I . S E R K E , G . P A L I N K A S ,

M . D . Z E I D L E R , F . J . WLESMANN,

H . BERTAGNOLLI , a n d P . C H I E U X 2 3 1

NMR Studies on Intercalation Compounds of Layered Chalcogenides with Methylamines and Ammonia M . MOLITOR, W . M Ü L L E R - W A R M U T I I ,

H . W . S P I E S S , a n d R . SCHÖLLHORN 2 3 7

The Volume Change on Ion-Pairing of Symmetrical Electrolytes Y . MARCUS 2 4 7

Glassy Carbon/KCl-Solution Interface Impedance. Mechanical Surface Treatment Effect S . V . M E N T U S 2 5 2

Vapour Pressure Isotope Effects of Chloroform G . JANCSÖ, G Y . J Ä K L I , a n d C s . FETZER 1 8 4

Ba, Rb, and Cs in the Earth's Mantle A . W . HOFMANN a n d W . M . W H I T E 256

Inhal tsverze ichnis VII

The Noble Gas Record in Antarctic and Other Meteorites H . W . W E B E R , O . BRAUN, L . SCHULTZ,

a n d F . BEGEMANN 2 6 7

Investigations of Cosmic-Raj'-Produced Nuclides in Iron Meteorites: 5. More Data on the Nuclides of Potassium and Noble Gases, on Exposure Ages and Meteoroid Sizes H . VOSHAGE, H . FELDMANN, a n d 0 . BRAUN 2 7 3

Notes

Diffusion in Non-ideal Liquid Mixtures R . H A A S E a n d W . E N G E L S 2 8 1

N u m b e r 3


Tunneling Through the Opaque Inverted Parabola G . - J . N i a n d W . W O N N E B E R G E R 2 8 5

On the Pressure Balance and Plasma Transport in Cylindrical Magnetized Arcs D . C . SCHRÄM, I . J . A . M . v . D. MULLEN,

B . F . M . P O T S , a n d C . J . TIMMERMANS 2 8 9

Direct Methods in the Case of Superstructure Ef-fects of a Higher Index (In German) R . B Ö H M E 3 0 4

On the Calculation of the Electrostatic Potentials at the Nuclei in the Point-charge Approximation Z . B . MAKSIC a n d K . R U P N I K 3 0 8

On the Approximate Relation Between the Sum of Semiempirical Molecular Orbital Energies and the Total Energy of a Molecule Z . B . MAKSIC a n d K . R U P N I K 3 1 3

45Scandium NMR Investigations in Aqueous Solutions E . H A I D , D . K Ö H N L E I N , G . KÖSSLER, 0 . LUTZ,

W . M E S S N E R , K . R . MOHN, G . NOTHAFT.

B . VAN R I C K E L E N , W . SCHICH,

a n d N . STEINHAUSER 3 1 7

On the Intensity Distribution within Photolumines-cence Bands in Rigid and Liquid Solutions A . K A W S K I , M . STO:&, a n d I . J A N I C 3 2 2

X-Ray Investigation with Fe9oBio- and FessBn-Melts (In German) E . N O L D , G . R A I N E R - H A R B A C H , P . LAMP ARTER,

a n d S . S T E E B 3 2 5

Neutron Diffraction Study on the Structure of Liquid Cs-Sb Alloys P . LAMPARTER, W . M A R T I N , S . S T E E B ,

a n d W . F R E Y L A N D 3 2 9

On Brillouin Scattering in Dense Fluids A . ASENBAUM 3 3 6

On the Order-Disorder Phase Transformation of Anilinium Halides. V. Inelastic Neutron Scatter-ing on Anilinium Bromide, CöHsNHfBr9 , and its Partially Deuterated Derivatives C6H5ND®Br© and C6D5NH©BrQ B . P . SCHWEISS, H . F U E S S , G . F E C H E R ,

a n d A . W E I S S 3 5 0

On the Spectrophotometric Analysis of Second Order Reactions (In German) H . M A U S E R 3 5 9

Electronic Spectra of p-Donor Substituted Benzo-nitriles and Ethylbenzoates (In German) G . W E R M U T H 3 6 8

Assignment of the UV-Photoelectron Spectrum of Tetrasulfur Tetranitride M . H . PALMER 3 7 8

Notes

Violation of Kruszewski's Rule I . GUTMAN a n d I . J U R A N I C 3 8 3

N u m b e r 4


Thermodynamics of Ion Formation by Fast Dis-sipation of Energy at Solid Surfaces F . R . K R U E G E R 3 8 5

Structure of Molten Bi-Zn-Alloys by Means of Neutron Diffraction W . K N O L L , P . LAMPARTER, a n d S . S T E E B 3 9 5

Characteristic Method Applied to Blast Waves in a Dusty Gas F . H I G A S H I N O 3 9 9

I nha l t sverze ichnis VII

On the Cholesteric-Nematic Phase-Change Transi-tion in Layers with Homeotropically Orienting Surfaces P . R . G E R B E R 4 0 7

Analysis of the ESR Hyperfine Coupling in Mono-and Bicyclic Azine Radical Anions by Means of Calculated Spin Densities M . H . PALMER a n d I . SIMPSON 4 1 5

ESR of Cation Radicals of Methyl-substituted Ben-zenes in a C F 3 C C I 3 Matrix M . TABATA a n d A . L U N D 4 2 8

Proton NMR Investigations of the Smectic-C Phases of Three Alkyloxy-Azoxybenzenes ST. L I M M E R a n d M . F I N D E I S E N 4 3 4

Millimeter-Wave Spectrum of Ethyl Acetylene Cen-trifugal Distortion, Coriolis Interaction and In-ternal Rotation J . DEMAISON, D . BOUCHER, J . B U R I E , a n d

A . D U B R U L L E 4 4 7

Pulsed Microwave Microwave Double Resonance Spectroscopy with Fourier Transform Technique G . BESTMANN a n d H . D R E I Z L E R 4 5 2

Measurement of *H Knight Shift and Magnetic Susceptibility in Compressed Powder Samples of TaHo.6i W . B A D E N a n d A . W E I S S 4 5 9

Investigation of Some Sulphur Halides — An Ap-plication of the Pseudopotential Method T . K R Ü G E R a n d H . P R E U S S 4 6 3

Dirichlet and von Neumann Basis Set for Quantum Mechanical Anharmonic Oscillators A . M . MESON, F . M . F E R N A N D E Z , a n d

E . A . CASTRO 4 7 3

Molecular Orbital Study on the Interaction of Ni and Cu Atoms with Oxygen-Containing Organic Ligands and Its Implication to Adsorption H . I T O H 4 7 7

Formation of Br02 in the Belousov-Zhabotinsky-System Reaction of Aliphatic Alcohols with Bromate H . D . FÖRSTERLING, H . J . LAMBERZ, a n d

H . SCHREIBER 4 8 3

Bifurcation Pattern in Reaction-Diffusion Dissipa-tive Systems R . J A N S S E N , V . HLAVACEK, a n d

P . VAN R O M P AY 4 8 7

N u m b e r 5


Localization of Eigenvalues by a Modification of Müller's Variational Principle in Some Exactly Solvable Cases H . K . H . S I E D E N T O P 4 9 3

Reliability Theory of Stochastic Fracture Processes in Sustained Loading: Part I A . S . KRAUSZ, K . KRAUSZ, a n d

D . NECSULESCU 4 9 7

Temperature Variation of Debye-Waller Factor for Alkali and Noble Metals A . R . J A N I a n d V . B . GOHEL 5 0 3

The Structure Factors of Liquid Metals in Low Q Region Y . W A S E D A 5 0 9

An Incomplete-Dissociation Model for Diffusion and Ionic Conduction in Pure Molten Salts A . K L E M M 5 1 6

Relaxation Time Studies of Excited Oxido-Sub-stituted p-Oligophenylenes in Different Solvents A . K A W S K I a n d M . ALICKA 5 2 0

Kinetic Energy Release and Energy Partitioning During the Ionic Fragmentation in Metastable Ions F . H . A B D E L - K A D E R a n d M . S . ABD

E L - F A T T A H 5 2 4

Near Infrared Absorption of Pure n-Heptane be-tween 5000 cm - 1 and 6500 cm - 1 to High Pres-sures and Temperatures M . BUBACK a n d A . A . HARFOUSH 5 2 8

Hydration Phenomena in a Concentrated Aqueous Solution of Ce(N03)3. X-ray Diffraction and Ra-man Spectroscopy R . CAMINITI , P . CUCCA, a n d A . D ' A N D R E A 5 3 3

Magnetocrystalline Anisotropy of 3 d6 and 3 d4 Ions at Triclinic Symmetry Sites. Application to Fe2 +

Ions in YIG: Me4+ (Me = Si, Ge) C . RUDOWICZ 5 4 0

Inha l t sverze ichnis VII

Vibrational Spectra of Sn2P2S6 (In German) R . B E C K E R , W . BRÜCKNER, a n d

C . WLBBELMANN 5 5 5

EXAFS Study of Ni2+ Coordination in Nitrate Solutions G . L I C H E R I , G . P I N N A , G . NAVARRA, a n d

G . VLAIC 5 5 9

Vibrational Properties of the Tetrahalogenooxo-technetates (V) (In German) E . J . BARAN a n d C . I . CABELLO 5 6 3

Theoretical Studies about the Absorption Spectra of Hydroxyindoles (In German) W . F A B I A N 5 6 6

N-Inversion in Free Radical Molecules Studied by ESR (In German) V . F I S C H E R , W . B Ü H L E R , a n d

K . SCHEFFLER 5 7 0

Dissociation of 2,4-Dinitrobenzoic Acid and D-10-Camphosulfonic Acid in Water-Methanol Mix-tures at 25 °C G . R I T Z O U L I S , N . PAPADOPOULOS, V . GALIAT-

SATOS, D . CHRISTODOULOU, a n d

D . JANNAKOTJDAKIS 5 7 9

Notes

Application of Wiener-Her mite Expansion to Strong Plasma Turbulence G . A H M A D i 5 8 3

Quadrupole Coupling in the Microwave Spectrum of Ethylisothiocyanate. An Application of Micro-wave Fourier Transform Spectroscopy W . K A S T E N , H . D R E I Z L E R , a n d R . SCHWARZ 5 8 5

Observation of Antiresonances in Fluorescence Spectra of Cr3+ and Nd3+ Doped Glasses W . STREK, E . L U K O W I A K , a n d

B . JEZOWSKA-TRZEBIATOWSKA 5 8 7

Spectroscopic and Kinetic Characteristics of HÖ2 and 0<T Species Studied by Pulse Radiolysis N . G E T O F F a n d M . PRUCHA 5 8 9

Photodissociation of CH2J2 and CHJ3 at 298 nm (In German) R . N O L T E , A . S E I B E R T , a n d W . S E I D E L 5 9 1

Fluorine Diffusion and Phase Transition in Super-ionic Conductor KSn2F5 as Studied by 19F NMR, Electrical Conductivity and DSC W . D . BASLER, I . V . M U R I N , a n d

S . V . CHERNOV 5 9 3

Report

Some Features of Excited States Density Matrix Calculation and Their Pairing Relations in Con-jugated Systems M . S E G R E DE G I A M B I A G I a n d

M . G I A M B I A G I 5 9 5

N u m b e r 6


Lagrangian Fbrmulation of a Consistent Relativistic Guiding Center Theory H . K . W I M M E L 6 0 1

Ion-Acoustic Wave Radiation from a Point Source in a Streaming Magnetoplasma M . CERÖEK a n d R . TAVZES 6 0 8

Alfven Wave Excitation in a Cavity with a Trans-verse Magnetic Field M . B U R E § 6 1 6

Magnetically Induced Plasma Rotation and Nuclear Fusion E . A . W I T A L I S 6 2 5

Unrestricted Harmonic Balance. IV. Extension to Transcendental Functions F . F . S E E L I G 6 3 6

The Influence of Reaction enthalpy on the Forma-tion of "Twisted Intramolecular Charge Transfer" (TICT)-States in Inert Solvents: p-Substituted N,N-Dimethylanilines (In German) G . W E R M U T H 6 4 1

Finite Wavetrains in a One-Dimensional Medium C . K A H L E R T a n d 0 . E . RÖSSLER 6 4 8

Centrifugal Distortion and Ground State Internal Rotation Analysis of the Microwave Spectrum of Dimethylsulfoxide E . F L I E G E , H . D R E I Z L E R , a n d V . T Y P K E 6 6 8

Superconductivity and Critical Field Strengths of Palladium-Boron-Hydrogen Alloys H . BRODOWSKY a n d J . FLEISCHHAUER 6 7 6

Theoretical Investigations on the Absorption Char-acteristics of Benzopyrrole- and Benzodipyrrole Derivatives (In German) W . F A B I A N 6 8 0

VIII Inha l t sverze ichnis

ESR of Cation Radicals of Vinyl Monomers in a C F 3 C C I 3 Matrix M . TABATA a n d A . L U N D 6 8 7

Molecular Structure and Mesomorphic Properties of Thermotropic Liquid Crystals — I M . A . OSMAN 6 9 3

Notes

Quenching of the Perylene Fluorescence by Ag+-Ions (In German) H . DREESKAMP, A . LÄUFER, a n d

M . ZANDER 6 9 8

The Influence of Water Addition on Solutions of FeCl3 in Isopropanol F . RODRIGUEZ, M . MORENO, J . C . F A Y E T ,

a n d F . VARRET 7 0 2

Erratum 703

N u m b e r 7


Nuclear Shell Structure in the Light of Quark Theory K . B L E U L E R , H . HOFESTÄDT, S . M E R K ,

a n d H . R . P E T R Y 7 0 5

The Chemical Fixation of Kr Isotopes in Zeolite 5A. — Prerequisite for the Determination of 25 keV Neutron Capture Cross Sections with the Activation Method (In German) R . - D . PENZHORN, G . W A L T E R , a n d H . B E E R 7 1 2

Reliability Theory of Stochastic Fracture Processes in Sustained Loading: Part II, Stochastic Load-ing D . NECSULESCU, A . S . KRAUSZ, a n d

K . KRAUSZ 7 1 9

ESR Study of the Impregnation Process of Silica Gels with Cu(N03)2 • 6H 2 0 G . M A R T I N I , M . F . OTTAVIANI, a n d

L . BURLAMACCHI 7 2 3

Unrestricted Harmonic Balance. A General Method to Evaluate Periodic Structures in Time and/or Space of Arbitrary Stability in Non-linear Dif-

ferential Equation Systems. V. Investigation of the Truncation Errors in the Case of an Exactly Solvable Non-linear System F . F . S E E L I G 7 2 9

Highly Resolved Emission Spectra of Al(acac)3:Cr3+ (In German) T . SCHÖNHERR, G . E Y R I N G . a n d R . L I N D E R 7 3 6

Vibrational Spectra and Force Constants of Sym-metric Tops, XXXIII . Rovibrational Analysis of vl,2v% and 2 v f 2 of H3

74GeI H . B Ü R G E R , R . E U J E N , A . R A H N E R , P . SCHULZ,

J . E . D R A K E , a n d S . CRADOCK 7 4 0

Kinetics of the UV-Photopolymerization in TS Di-acetylene Single Crystals as Studied by Time Resolved Optical Spectroscopy H . N I E D E R W A L D a n d M . SCHWOERER 7 4 9

Specific Volume and Ultrasonic Velocity Studies of the Liquid Crystal N-(p-n-hexyloxybenzylidene)-p-n-butylaniline (HzBBA) L . V . CHOUDARY, J . V . R A O , P . N . M U R T Y ,

a n d C . R . K . M U R T Y 7 6 2

The Molecular Structure of Pentafluorobenzene Sulphonyl Chloride E . V A J D A a n d I . H A R G I T T A I 7 6 5

35C1 Nuclear Quadrupole Interaction in Thionyl Chloride F . MAT A a n d N . CARBALLO 7 6 9

MNDO Studies on Malononitrile Dimerization J . M I R E K a n d A . B U D A 7 7 4

Molecular Structure and Mesomorphic Properties of Thermotropic Liquid Crystals. II. Terminal Substituents M . A . OSMAN 7 7 9

The Chaotic Hierarchy 0 . E . RÖSSLER 7 8 8

Spectroscopic Studies of the Dark Space ahead of a Shock Wave in an Argon Plasma Flow M . N I S H I D A a n d A . N A K A J I M A 8 0 2

Chemiluminescent Oxidation Reaction of Eu2 + Ions with H2O2 M . E L B A N O W S K I , J . W I E R Z C H O W S K I , M . PAETZ,

a n d J . S L A W I N S K I 8 0 8

Inha l t sverze ichn is

Notes

Raman Spectra of the Systems ASCI3/CI2—AICI3 and AsCl3/Cl2-GaCl3 (In German) B . DEMIRCAN a n d W . BRÜCKNER 8 1 1

N u m b e r 8


The Inverse Mean Field Method and the Energy Dependence of the Nuclear Potential E . F . H E F T E R a n d K . A . G R I D N E V 8 1 3

Effect of Phase Choices in Rovibrational Wave-functions on the Labeling of K- and Z-Type Doubling in Molecular Energy Levels K. Yamada 821

Theory of Fluorescence Depolarization by Aniso-tropic Brownian Rotations R . A L I C K I a n d M . ALICKA 8 3 5

Influence of SFß on the Broadening and Shift of the 5 3 5 . 0 nm Thallium Line E . L I S I C K I , R . BOBKOWSKI , J . SZUDY, a n d

J . W O L N I K O W S K I 8 3 8

Energy Conserving Non-relativistic Guiding Center Mechanics and the Galilean Principle of Relativity H . K . W I M M E L 8 4 1

The Influence of Spin-coupling on the ESR-spectra of the Orthochromites YCrC>3 and LuCrC>3 (In German) K . DRÄGER 8 4 8

An ab Initio SCF Study on the Stability and Struc-ture of H2CN+ • %N2 Clusters T . - K . H A a n d M . T . N G U Y E N 8 5 5

Molecular Dynamics Studies on the Structure of Binary Metallic Glasses based on Lennard-Jones (12-6) Potentials. I . Ni8 iBi9 and Cu57Zr43 0 . B E Y E R a n d C . H O H E I S E L 8 5 9

Semiempirical Studies of Core Electron Binding Energies. Part 10. The SCC-MO Calculations on some Purines Z . B . MAKSIC, K . R U P N I K , a n d A . V E S E L I 8 6 6

Crystal Structure and Vibrational Spectra of Pb2P2S6 (In German) R . B E C K E R , W . BRÜCKNER, a n d H . SCHÄFER 8 7 4

IX

Fused Salt Concentration Cells with Transference. Transport Numbers of Molten (Li, Ag)Cl and Molten Alkali Jodide and Silver Jodide Mixtures J . R I C H T E R , E . KIRSCHBAUM, a n d

H . VALENTA 8 8 0

Concentration Dependence of the Interdiffusion Co-efficients in Molten Alkali Nitrate — Silver Ni-trate Mixtures A . H A H N E a n d J . R I C H T E R 8 8 5

Molar Volumes and Molar Excess Volumes of Molten Alkali Chloride + Silver Chloride Mixtures A . K R E K E L B E R G , W . MERKENS, a n d

J . R I C H T E R 8 9 0

On the Photodecomposition of C I 0 N 0 2 in the Middle Ultraviolet H . - D . K N A U T H a n d R . N . SCHINDLER 8 9 3

The Reaction of Hydrogen Atoms with Silyl Rad-icals ; the Decomposition Pathways of Chemically Activated Silanes K . WÖRSDORFER, B . R E I M A N N , a n d

P . POTZINGER 8 9 6

On the Band Structure of Möbius Polymers O . E . POLANSKY 9 0 9

Topological Effect on MO Energies. I I I . Hetero-cyclic Systems with Non-Isomorphic Partial Structures W . F A B I A N , I . MOTOC, a n d 0 . E . POLANSKY 9 1 6

Fluorescence of Trans-4-Cyano-4'-dimethylamino-stilbene; No Evidence for a TICT State H . G R U E N a n d H . GÖRNER 9 2 8

The Duschinsky Effect and Optical Spectra G . OLBRICH a n d H . K U P K A 9 3 7

Notes

Spin-Lattice Relaxation Times of XH in Aqueous Gadolinium Chloride Solutions D . K Ö H N L E I N , O . LUTZ, a n d R . U L M E R 9 4 7

N u m b e r 9


Magnetically Induced Plasma Rotation and the Dense Plasma Focus E. A. WITALIS 9 4 9

X Inhal t sverze ichnis VII

Spontaneous Tunnel Transitions Induced by Re-distribution of Trapped Electrons over Impurity Centers A. A. BEREZIN 9 5 9

Dissipative Structures in I D and 2 D Chemically Reacting Systems P. NANDAPURKAR a n d V. HLAVACEK 9 6 3

The Electronic Structure of the Octa-Sulphur Molecule: An Ab Initio Configuration Interaction Study M . H. PALMER a n d ( in p a r t ) R . H . FINDLAY 1032

Exact Solutions of Simple Nonlinear Difference Equation Systems that Show Chaotic Behavior T. TSUCHIYA. A. SZABO. a n d N . SAITÖ 1035

Simulation of Amplitude Behaviour in the Ag+

Perturbed Excitable Belousov-Zhabotinsky Reac-tion by the Oregonator Model P. RUOFF 9 7 4

Notes

On the Determination of Moment of Inertia of Prolate Luminescent Molecules A. KAWSKI 1040

Brillouin Scattering in Liquid Benzene Under High Pressure A. ASENBAUM a n d H. D . HOCHHEIMER 9 8 0

Molecular Vibration Analysis of the Cage-Like Molecules ß-V&s, As4S5 , P4S7 , and AS2P2S7 S. J. CYVIN, B. N . CYVIN. H . M O T Z , a n d C .

WIBBELMANN 9 8 7

An Experimental and Theoretical Dipole Moment Study of 2-Chloropyridine-5-sulphonyl Chloride H. LUMBROSO, E. MONTONERI. a n d G . C . PAPPA-

LARDO 1043

Nitrogen Hyperfine Structure in Allylcyanide Syn-periplanar. Application of Microwave Fourier Transform Spectroscopy G . BESTMANN a n d H . DREIZLER 1045

Permanent Dipole Moment and Polarizability of a Class of Merocyanine Dyes in Their Ground and First Excited Singlet State W . BAUMANN 9 9 5

A Four-Level Double Resonance Experiment on HCCC I 5 N with a Bridge Type Superheterodyne Microwave Spectrometer H. BOMSDORF a n d H. DREIZLER 1003

Determination of a High Potential Barrier Hinder-ing Internal Rotation from the Ground State Spectrum. The Methylbarrier of Ethylchloride W . STAHL, H . DREIZLER, a n d M . HAYASHI 1010

The Rotational Spectra of Fluorinated Acetonitriles; l4N-nuclear Quadrupole Hyperfine Structures Measured with a Microwave Fourier Transform Spectrometer W . KASTEN. H. DREIZLER, B. E. JOB. a n d J.

SHERIDAN 1015

PA-Spectroscopic Investigation on Solutions of Dyes in Polvmermatrixes (In German) W . G Ö R T Z a n d H . - H . PERKAMPUS 1022

The Raman Spectra and Conformational Change of Simple Sodium Alkylsulfates and Sodium Alkyl-sulfonates in Aqueous Solution T. IKEDA. T . YOSHIDA. a n d H . OKABAYASHI 1047

Errata 1048

N u m b e r 1 0


The Pauli Principle for Two Particles in a Dequanti-zation Scheme Based on Coherent States B. BOLL a n d P. KRAMER 1049

Liouville Equation. Painleve Property and Bäcklund Transformation W . - H . STEEB, M . KLOKE. a n d B. M . SPIEKER 1054

A Method of Calculating Bound States in a Unified Field Model D . GROSSER, B. HAILER. L. H O R N U N G . T . LAUX-

MANN. a n d H . STUMPF 1056

Discussion of the Two-Fermion Sector in a Unified Nonlinear Spinor Field Model with Indefinite Metric I H . STUMPF 1064

Inha l t sverze ichnis VII

A Fundamen ta l Study on Uranium Isotope Separa-tion Using U( IV) -U(VI ) Electron Exchange Reac-tion J . FUKUDA. Y . FUJII , a n d M . OKAMOTO 1072

Infrared Spectra of the Hexachalcogenohypo-diphosphate Mixed Crystals Co 2_ vNi vP 2S 6 and Ni2P2S6_vSev (In Ge rman) G . KLICHE 1133

Influence of the Static Sample Tempera ture on the Mass Spectra of Alkali Halides and Metals Ob-tained with Pulsed Laser Induced Ion Genera t ion B. SCHUELER, P. K . D . FEIGL, a n d F . R . KRUEGER

1078 Appearance Energies and Calculated Partial Mass

Spectra of (2,3-), (2,4-), and (2,5-)Dimethylanil ine Isomers F . H . A B D EL-KADER a n d H . M. AHMED 1084

Microwave Diagnostic of the Pulsed Plasma Genera-tion in the Hollow-Cathode Glow Discharge J . HILDEBRANDT 1088

Structure of Mn-Si-Melts by Means of X-Ray Dif-fraction E . NASSIF, P . LAMPARTER, B. SEDELMEYER, a n d

S. STEEB 1093

Structure of Ni-B-Melts by Means of X-Ray Diffrac-tion E . NASSIF, P. LAMPARTER, B. SEDELMEYER, a n d

S. STEEB 1098

Rovibrational Analysis of the v3 Band of Diazome-thane, H 2 C N N J . VOGT a n d M . WINNEWISSER 1138

On the Role of Microcrystal Format ion in Intermo-lecular Triplet-Triplet Energy Transfer in Rigid Glasses M . ZANDER 1146

A Carbon-13 Spin-Lattice Relaxation Studies of Simple Alkylsulfates and Alkylsulfonates in Aqueous Solution K . MATSUSHITA, Y . TERADA, T. YOSHIDA. a n d H .

OKABAYASHI 1149

Notes

Vibrational Properties of Some Transplutonium Or-thophosphates (In G e r m a n ) E. J . BARAN 1152

On the Reaction Mechanism of Scavenged Hydro-carbon Radiolysis G . FÖLDIÄK a n d R . H . SCHULER 1154

Fluorescence Anisotropy and Decay Times of Pyrene and Pyrene Excimer in Cellulose Acetate Films at Various Temperatures A . KAWSKI. I. WEYNA, Z . KOJRO, a n d A . KUBICKI

1103

Complicated Poincare Half-Maps in a Linear System B. UEHLEKE a n d O . E . RÖSSLER 1107

N u m b e r 1 1


Non-Uni form Chaot ic Dynamics with Implications to Informat ion Processing J . S. NICOLIS, G . MEYER-KRESS, a n d G . HAUBS

1157

Microscopic Observation of Paramorphic Quadrat ic Cholesteric Textures Grown from Supercooled Blue Phases H . ONUSSEIT a n d H . STEGEMEYER 1114

Investigation of the Hydrogen-Pal ladium Bond of Hydrogen Being Adsorbed on the (100)- and (111)-Surfaces, Diffusing and Being Absorbed in the Crystal-Lattice Using the SW-Xa-Method (In G e r m a n ) H . - G . FRITSCHE 1118

Weak Double Layers: Existence, Stability, Evidence H . SCHAMEL 1170

Discussion of the Two-Fermion Sector in a Unified Nonl inear Spinor Field Model with Indefinite Metric II H . STUMPF 1184

On Anomalous Plasma Transport as a Wiener Process A . SALAT 1189

XII Inha l t sverze ichn is

Luminescence and Laser Properties of the 10-Phenyl-9-acetoxyanthracene Derivatives JANINA R. HELDT 1 1 9 7

X-Ray Diffraction Study on the Structure of the Metallic Glasses Mg84Ni16 and Mg3 0Ca7 0

E. NASSIF, P. LAMPARTER. a n d S. STEEB 1206

Neutron Diffraction Study on the Structure of the Metallic Glass Cu57Zr43 P. LAMPARTER, S. STEEB, a n d E . GRALLATH 1210

The Extension of the Magnetic Cluster-Model and its Application to Gall ium-doped a - C r 2 0 3 (In Ger-man) K . DRÄGER 1223

A Reinvestigation of the Rotational Spectrum of 2-Chloropropene E. FLIEGE a n d H . DREIZLER 1231

Vibronic Ground State Rotational Spectrum of 3-Bromothiophene. Quadrupole Hvperfine Struc-ture and Centrifugal Distortion Analysis D . HÜBNER, E . FLIEGE, a n d D . H . SUTTER 1238

Molecular Vibrations of Cubane and Its Deuterated Derivatives S. J . CYVIN, B. N . CYVIN, a n d J . BRUNVOLL 1248

Magnetic Circular Dichroism and Molecular Orbital Studies on Condensed Thiadiazoles A. TAJIRI a n d J . WINKLER

Notes

1263

Multiphoton Excitation in Molecular Bismuth O . BABAKY a n d A . TOPOUZKHANIAN 1270

N u m b e r 12


The Equations of Motion for Nematics G . VERTOGEN 1273

Contribution of the Torsional Modes to the Equili-brium Distribution of Vibrational States and to the Specific Heat of a Chain Molecule J . A . BORGES DA COSTA, C . SCHERER. A . H O L Z .

a n d J . NAGHIZADEH 1285

On the Decomposition of Spinor Fields which satisfy a Nonlinear Higher Order Equation D . GROSSER 1293

Diode Laser Spectrum of HCCCN: CN Stretching Band K . YAMADA. R . BEST, a n d G . WINNEWISSER 1296

Microwave Spectrum and Nuclear Quadrupole Interaction of 3-Bromothiophene in Excited Vi-brational States Y . S A S A D A 1309

Effective Hamiltonians for EPR Spectroscopy of Ex-change-Coupled Pairs E. BULUGGIU 1 3 2 0

Experimental Determination of the Form and Struc-ture Factor of Molten Lithium H . OLBRICH. H . RUPPERSBERG. a n d S. STEEB 1328

Absorption Spectra of Substituted 2-Phenylindan-I,3-Dion-2-YL Radicals in Solution J . ZECHNER. N . GETOFF. I. TIMTCHEVA. F . FRATEV.

a n d ST. MINCHEV 1337

Quantitative Comparison of the Shape of Bio-orga-nic Molecules I. MOTOC 1342

A Contribution to the Analysis of the Rotational Spectra of Dimethyl Selenide in Torsional Excited States W . LALOWSKI a n d H . DREIZLER 1346

Assignment of the Low Energy Photoelectron Spec-trum of the Octa-Sulphur Molecule: An ab initio Configuration Interaction Study M . H . PALMER 1359

On Energy Differences in Many Body Systems. The Mathematical Structure of the New-Tamm-Dancoff Procedure III E. E . MÜLLER a n d W . FEIST 1276

Study of the Liquid Crystalline Phases in Some Compounds of 4-Trans-(4-Alkyl)Cyclo-Hexylphe-nyl-Alkylcarboxylate I. H . IBRAHIM a n d W . HAASE 1362

Inha l t sverze ichnis

On the Interpretation of the Influence of Substitu-ents on the UV-Spectroscopic Properties of Benzi-midazole and Indazole Derivatives (In German) W . F A B I A N 1365

All-Temperature Partition Function from Variatio-nally Optimized Canonical Density Matrix R. BALTIN 1 3 7 3

Damage Tensors and Tensors of Continuity in Stress Analysis J . BETTEN 1383

X-Ray Spectroscopic Studies on Fe4oNi38Mo4B18

Glassy Alloy During the Crystallization Process G . C o c c o , S. ENZO, L. INCOCCIA, a n d S. MOBILIO

1391

XIII

Thermal Expansion of Lithium Sulphate B. E . MELLANDER a n d L. NILSSON 1396

Notes

Enthalpies of Mixing for Binary Liquid Mixtures of Acids R . HAASE, H . - J . JANSEN, a n d B. WINTER 1400

The Dissociation of Salicylic, 2.4-, 2,5-, and 2,6-Dihy-droxybenzoic Acids in Methanol-Water Mixtures at 25 °C G . POULIAS, N . PAPADOPOULOS, a n d D . JANNA-

KOUDAKIS 1402

Sachverzeichnis 1405

Autorenverzeichnis 1411