Volume 661-662; Issue none

Main
Journal of Molecular Structure
Volume 661-662; Issue none

Journal of Molecular Structure

Volume 661-662; Issue none

1

Matrix-isolation and solid state low temperature FT-IR study of 2,3-butanedione (diacetyl)

A Gómez-Zavaglia, R Fausto

Journal:

Journal of Molecular Structure

Year:

2003

Language:

english

File:

PDF, 236 KB

english, 2003

2

The identification of microorganisms by micro-Raman spectroscopy

P. Rösch, M. Schmitt, W. Kiefer, J. Popp

Journal:

Journal of Molecular Structure

Year:

2003

Language:

english

File:

PDF, 259 KB

english, 2003

3

Infrared microspectroscopic imaging of benign breast tumor tissue sections

H Fabian, P Lasch, M Boese, W Haensch

Journal:

Journal of Molecular Structure

Year:

2003

Language:

english

File:

PDF, 291 KB

english, 2003

4

The Fourier transform infrared spectrum of the boron trifluoride-sulphur dioxide van der Waals complex

Lawrence M Nxumalo, Thomas A Ford

Journal:

Journal of Molecular Structure

Year:

2003

Language:

english

File:

PDF, 159 KB

english, 2003

5

Time-resolved infrared and resonance Raman studies of benzil. Vibrational analysis and structures of the excited states

Misao Mizuno, Koichi Iwata, Hiroaki Takahashi

Journal:

Journal of Molecular Structure

Year:

2003

Language:

english

File:

PDF, 256 KB

english, 2003

6

Vibrational spectra and DFT calculations of tetralin and 1,4-benzodioxan

Daniel Autrey, Juan Yang, Jaan Laane

Journal:

Journal of Molecular Structure

Year:

2003

Language:

english

File:

PDF, 185 KB

english, 2003

7

Structures and vibrational spectra of 5H-dibenz[b,f]azepine and 5H-dibenzo[a,d]cycloheptene-5-ol on the basis of quantum mechanical calculations

G.M. Kuramshina, T. Mogi, H. Takahashi

Journal:

Journal of Molecular Structure

Year:

2003

Language:

english

File:

PDF, 382 KB

english, 2003

8

Diastereomeric hexacoordinate silicon complexes: preparation, structure and epimerization

Olga Girshberg, Inna Kalikhman, Dietmar Stalke, Bernhard Walfort, Daniel Kost

Journal:

Journal of Molecular Structure

Year:

2003

Language:

english

File:

PDF, 152 KB

english, 2003

9

Mid-infrared attenuated total reflection spectroscopy of human stratum corneum using a silver halide fiber probe of square cross-section and adhesive tape stripping

H.M. Heise, L. Küpper, L.N. Butvina

Journal:

Journal of Molecular Structure

Year:

2003

Language:

english

File:

PDF, 252 KB

english, 2003

10

Noninvasive detection by ATR and NIR-DR methods for skin-care ionic materials transported into the skin by iontophoresis

Toyotoshi Ueda, Yukio Watanabe, Ken-ichi Akao, Harue Suzuki

Journal:

Journal of Molecular Structure

Year:

2003

Language:

english

File:

PDF, 215 KB

english, 2003

11

Infrared spectroscopic diagnosis of thyroid tumors

K.Z. Liu, C.P. Schultz, E.A. Salamon, A. Man, H.H. Mantsch

Journal:

Journal of Molecular Structure

Year:

2003

Language:

english

File:

PDF, 324 KB

english, 2003

12

Surface-enhanced infrared absorption of DMIP on gold–germanium substrates coated by self-assembled monolayers

C Domingo, J.V Garcı́a-Ramos, S Sánchez-Cortés, J.A Aznarez

Journal:

Journal of Molecular Structure

Year:

2003

Language:

english

File:

PDF, 181 KB

english, 2003

13

On the chloride activation in SERS and single molecule SERS

A Otto, A Bruckbauer, Y.X Chen

Journal:

Journal of Molecular Structure

Year:

2003

Language:

english

File:

PDF, 284 KB

english, 2003

14

Crystal structure, vibrational spectra and nonlinear optical properties of the orthoarsenic acid-tris-(hydroxymethyl)-aminomethane crystal

S. Debrusa, M. Maya, J. Baryckib, T. Glowiakc, A.J. Barnesd, H. Ratajczakc, D. Xuef

Journal:

Journal of Molecular Structure

Year:

2003

Language:

english

File:

PDF, 199 KB

english, 2003

15

Photochemically induced dynamic nuclear polarisation in entire bacterial photosynthetic units observed by 13C magic-angle spinning NMR

Shipra Prakash, Alia, Peter Gast, Gunnar Jeschke, Huub J.M. de Groot, Jörg Matysik

Journal:

Journal of Molecular Structure

Year:

2003

Language:

english

File:

PDF, 163 KB

english, 2003

16

Biography of Bernhard Schrader

Journal:

Journal of Molecular Structure

Year:

2003

Language:

english

File:

PDF, 49 KB

english, 2003

17

Characterization and identification of microorganisms by FT-IR microspectrometry

N.A Ngo-Thi, C Kirschner, D Naumann

Journal:

Journal of Molecular Structure

Year:

2003

Language:

english

File:

PDF, 243 KB

english, 2003

18

Infrared and Raman spectroscopic and theoretical studies of hexaaqua metal ions in aqueous solution

J Mink, Cs Németh, L Hajba, M Sandström, P.L Goggin

Journal:

Journal of Molecular Structure

Year:

2003

Language:

english

File:

PDF, 201 KB

english, 2003

19

Water content and structure in malignant and benign skin tumours

M. Gniadecka, O.F. Nielsen, H.C. Wulf

Journal:

Journal of Molecular Structure

Year:

2003

Language:

english

File:

PDF, 138 KB

english, 2003

20

Characterization of self assembly layers of octadecanephosphonic acid by polarisation modulation FT-IRRA spectroscopy mapping

G. Steiner, V. Sablinskas, O. Savchuk, R. Bariseviciute, E. Jähne, H.J. Adler, R. Salzer

Journal:

Journal of Molecular Structure

Year:

2003

Language:

english

File:

PDF, 232 KB

english, 2003

21

Enhanced Raman spectroscopic study of interactions of tetracyanoethylene molecules with copper surfaces

Journal:

Journal of Molecular Structure

Year:

2003

Language:

english

File:

PDF, 155 KB

english, 2003

22

Vibrational circular dichroism spectroscopy and the effects of metal ions on DNA structure

V. Andrushchenko, D. Tsankov, H. Wieser

Journal:

Journal of Molecular Structure

Year:

2003

Language:

english

File:

PDF, 408 KB

english, 2003

23

Qualitative and quantitative study of polymorphic forms in drug formulations by near infrared FT-Raman spectroscopy

Martin E. Auer, Ulrich J. Griesser, Juergen Sawatzki

Journal:

Journal of Molecular Structure

Year:

2003

Language:

english

File:

PDF, 266 KB

english, 2003

24

Identification of organic arsenic, tin, antimony and tellurium compounds in environmental samples by GC-MS

J Kösters, R.A Diaz-Bone, B Planer-Friedrich, B Rothweiler, A.V Hirner

Journal:

Journal of Molecular Structure

Year:

2003

Language:

english

File:

PDF, 276 KB

english, 2003

25

Surface-enhanced Raman scattering spectroscopy and density functional theory calculation studies on adsorption of o-, m-, and p-nitroaniline on silver and gold colloid

Takeyuki Tanaka, Atsushi Nakajima, Akiko Watanabe, Takashi Ohno, Yukihiro Ozaki

Journal:

Journal of Molecular Structure

Year:

2003

Language:

english

File:

PDF, 253 KB

english, 2003

26

FTIR spectroscopic study of CO adsorption on Rh–ZSM-5: detection of Rh+–CO species

K. Hadjiivanov, E. Ivanova, L. Dimitrov, H. Knözinger

Journal:

Journal of Molecular Structure

Year:

2003

Language:

english

File:

PDF, 119 KB

english, 2003

27

Simultaneous temperature and relative oxygen and methane concentration measurements in a partially premixed sooting flame using a novel CARS-technique

Thomas Seeger, Joachim Jonuscheit, Martin Schenk, Alfred Leipertz

Journal:

Journal of Molecular Structure

Year:

2003

Language:

english

File:

PDF, 375 KB

english, 2003

28

Thermogravimetric and Raman spectroscopic investigations on different coals in comparison to dispersed anthracite found in permineralized tree fern Psaronius sp.

Klaus Nestler, Dagmar Dietrich, Klaus Witke, Ronny Rößler, Günter Marx

Journal:

Journal of Molecular Structure

Year:

2003

Language:

english

File:

PDF, 137 KB

english, 2003

29

Drop of the dielectric constant of some aliphatic primary alcohols in thin layers between two vitreous carbon plates

Uwe Franken, Gerhard Peschel

Journal:

Journal of Molecular Structure

Year:

2003

Language:

english

File:

PDF, 142 KB

english, 2003

30

Vibrational spectra, normal coordinate treatment and simulation of the vibrational spectra of piperazine glyoxime and its Co(III) complex

T Özpozan, D Küçükusta, Z Büyükmumcu

Journal:

Journal of Molecular Structure

Year:

2003

Language:

english

File:

PDF, 239 KB

english, 2003

31

DRIFTS-studies of the interactions of HNO3 with ice and HCl (HNO3)-hydrate surfaces at temperatures around 165 K

H. Reinhardt, M. Fida, R. Zellner

Journal:

Journal of Molecular Structure

Year:

2003

Language:

english

File:

PDF, 273 KB

english, 2003

32

Principal components analysis as a tool for identity control using near-infrared spectroscopy

Roman Bossart, Holger Keller, Hanspeter Kellerhals, Joachim Oelichmann

Journal:

Journal of Molecular Structure

Year:

2003

Language:

english

File:

PDF, 291 KB

english, 2003

33

Isotopic dilution, self-association, and Raman non-coincidence in the binary system (CH3)2CO+(CD3)2CO reinvestigated by polarized Raman measurement and ab initio calculations

Sunil K. Srivastava, Animesh K. Ojha, J. Koster, M.K. Shukla, J. Leszczynski, B.P. Asthana, W. Kiefer

Journal:

Journal of Molecular Structure

Year:

2003

Language:

english

File:

PDF, 260 KB

english, 2003

34

Illumination of a mediaeval mystery: the FT-Raman spectroscopic analysis of red pigment from a mediaeval corbel in the church St Clement of Rome, Fiskerton

Journal:

Journal of Molecular Structure

Year:

2003

Language:

english

File:

PDF, 149 KB

english, 2003

35

Update of reviews on Raman spectra of gases I. Linear Raman spectroscopy

Journal:

Journal of Molecular Structure

Year:

2003

Language:

english

File:

PDF, 87 KB

english, 2003

36

Local phenomena in relaxor-ferroelectric PbSc0.5B″0.5O3 (B″=Nb, Ta) studied by Raman spectroscopy

B Güttler, B Mihailova, R Stosch, U Bismayer, M Gospodinov

Journal:

Journal of Molecular Structure

Year:

2003

Language:

english

File:

PDF, 315 KB

english, 2003

37

Excited state geometry calculations and the resonance Raman spectrum of hexamethylpyrromethene

M.-A Mroginski, C Kneip, P Hildebrandt, F Mark

Journal:

Journal of Molecular Structure

Year:

2003

Language:

english

File:

PDF, 272 KB

english, 2003

38

Theoretical investigation of intramolecular trapping of strain allene: endo-bicyclo[3.2.1]octa-2,3-dien-6-ol

Fatma Sevin, Mehmet Doğan

Journal:

Journal of Molecular Structure

Year:

2003

Language:

english

File:

PDF, 135 KB

english, 2003

39

FTIR studies of the interactions of 1,3,5-triazabicyclo[4.4.0]dec-5-ene with 4-tert-butylphenol and 4-cyanophenol

Piotr Przybylski, Grzegorz Wojciechowski, Bogumil Brzezinski, Georg Zundel, Franz Bartl

Journal:

Journal of Molecular Structure

Year:

2003

Language:

english

File:

PDF, 507 KB

english, 2003

40

Vibrational spectra and structure model of 2-biphenylmethanol molecule

L.M Babkov, J Baran, N.A Davydova, J.I Kukielski, S.V Trukhachev

Journal:

Journal of Molecular Structure

Year:

2003

Language:

english

File:

PDF, 327 KB

english, 2003

41

Time-resolved absorption and time-resolved Raman spectroscopies of the photochemistry of carbazole and N-ethylcarbazole

R. Hiyoshi, H. Hiura, Y. Sakamoto, M. Mizuno, M. Sakai, H. Takahashi

Journal:

Journal of Molecular Structure

Year:

2003

Language:

english

File:

PDF, 294 KB

english, 2003

42

Freezing nucleation of levitated single sulfuric acid/H2O micro-droplets. A combined Raman- and Mie spectroscopic study

C Mund, R Zellner

Journal:

Journal of Molecular Structure

Year:

2003

Language:

english

File:

PDF, 349 KB

english, 2003

43

Infrared, Raman and VCD spectra of (S)-(+)-Carvone-comparison of experimental and ab initio theoretical results

Günter Georg Hoffmann

Journal:

Journal of Molecular Structure

Year:

2003

Language:

english

File:

PDF, 1.14 MB

english, 2003

44

Measurement and evaluation of FT-Raman spectra of Norway spruce needles: how the background variability can be explained

P Matejka, H Tokarová, T Pekarek, K Volka

Journal:

Journal of Molecular Structure

Year:

2003

Language:

english

File:

PDF, 841 KB

english, 2003

45

Molecular interactions in conjugates of dicarboxylic acids and amino acids

Alfred Kolbe, Carola Griehl, Simone Biehler

Journal:

Journal of Molecular Structure

Year:

2003

Language:

english

File:

PDF, 122 KB

english, 2003

46

Electronic and geometrical structures of cyclopropanes, part 2 photoelectron spectra and electronic structures of halogenocyclopropanes. Linear correlation of ionization energies with C–C bond lengths

Paul Rademacher, Rainer Poppek, Klaus Kowski, Gerd Schrumpf

Journal:

Journal of Molecular Structure

Year:

2003

Language:

english

File:

PDF, 225 KB

english, 2003

47

Identification of illicit drugs by a combination of liquid chromatography and surface-enhanced Raman scattering spectroscopy

Bernd Sägmüller, Bernd Schwarze, Georg Brehm, Gerd Trachta, Siegfried Schneider

Journal:

Journal of Molecular Structure

Year:

2003

Language:

english

File:

PDF, 268 KB

english, 2003

48

Thermodynamic properties of chlorinated phenols, cyclo-C5 compounds, and derived radicals from G3MP2B3 calculations

Rudolf Janoschek, Walter M.F. Fabian

Journal:

Journal of Molecular Structure

Year:

2003

Language:

english

File:

PDF, 170 KB

english, 2003

49

The electronic transitions of dibenzothiophene: linear dichroism spectroscopy and quantum chemical calculations

Jens Spanget-Larsen, Erik W Thulstrup

Journal:

Journal of Molecular Structure

Year:

2003

Language:

english

File:

PDF, 199 KB

english, 2003

50

Is the indigo molecule perturbed in planarity by matrices?

Klaus Witke, Klaus-Werner Brzezinka, Ingolf Lamprecht

Journal:

Journal of Molecular Structure

Year:

2003

Language:

english

File:

PDF, 156 KB

english, 2003

51

Temperature-dependent FTIR spectroscopic studies of hydrogen bonding of the copolymer poly(styrene-b-4-vinylpyridine) with pentadecylphenol

Klaus-Jochen Eichhorn, Amir Fahmi, Gudrun Adam, Manfred Stamm

Journal:

Journal of Molecular Structure

Year:

2003

Language:

english

File:

PDF, 214 KB

english, 2003

52

The use of infrared spectroscopy in the dairy industry

E. Wüst, L. Rudzik

Journal:

Journal of Molecular Structure

Year:

2003

Language:

english

File:

PDF, 375 KB

english, 2003

53

On the vibrational spectra and structural parameters of some XN3 molecules (X=H, F, Cl, Br)

Shiyu Shen, James R Durig

Journal:

Journal of Molecular Structure

Year:

2003

Language:

english

File:

PDF, 262 KB

english, 2003

54

Rapid evaluation and quantitative analysis of thyme, origano and chamomile essential oils by ATR-IR and NIR spectroscopy

Hartwig Schulz, Rolf Quilitzsch, Hans Krüger

Journal:

Journal of Molecular Structure

Year:

2003

Language:

english

File:

PDF, 169 KB

english, 2003

55

A pyrimidine motif DNA triplex with a third N3′→P5′ phosphoramidate d-C,T strand studied by FTIR and UV spectroscopy

J.A. Mondragón-Sánchez, J. Liquier, S.M. Gryaznov, E. Taillandier

Journal:

Journal of Molecular Structure

Year:

2003

Language:

english

File:

PDF, 241 KB

english, 2003

56

Conformational equilibrium in dimethylvinylsilane and dimethylvinylsilane-d1 studied by infrared and Raman spectroscopy and by ab initio calculations

Peter Klaeboe, Christian J Richard, Valdemaras Aleksa, Claus J Nielsen, Gamil A Guirgis, James R Durig

Journal:

Journal of Molecular Structure

Year:

2003

Language:

english

File:

PDF, 346 KB

english, 2003

57

Raman spectroscopic study of some chalcopyrite–xanthate flotation products

G.N Andreev, A Barzev

Journal:

Journal of Molecular Structure

Year:

2003

Language:

english

File:

PDF, 146 KB

english, 2003

58

Vibrational spectroscopy of macrocyclic oligo(Phenyldiacetylenes)—I. A theoretical and experimental study of octadehydrodibenzo[12]annulene and dodecadehydrotribenzo[18]annulene

Nikola Biliškov, Boris Zimmermann, Goran Baranović

Journal:

Journal of Molecular Structure

Year:

2003

Language:

english

File:

PDF, 264 KB

english, 2003

59

Comparative infrared and Raman spectroscopy of energetic polymers

David S. Moore, Shawn D. McGrane

Journal:

Journal of Molecular Structure

Year:

2003

Language:

english

File:

PDF, 121 KB

english, 2003

60

13C NMR studies on the structure of 5H- and 6H-indolo-[2,3-b]quinolines and the related compounds

K. Kamieńska-Trela, L. Kania, M. Bechcicka, Ł. Kaczmarek

Journal:

Journal of Molecular Structure

Year:

2003

Language:

english

File:

PDF, 171 KB

english, 2003

61

Vibrational spectra of tris(hydroxymethyl)aminomethane hydrogenhalides TRISH+X−, (HOH2C)3C–NH3+·X− (X=F, Cl, Br, I)

S Schroetter-Dirks, D Bougeard

Journal:

Journal of Molecular Structure

Year:

2003

Language:

english

File:

PDF, 235 KB

english, 2003

62

Vibrational spectra and DFT calculations of PPV-oligomers

T Hrenar, R Mitrić, Z Meić, H Meier, U Stalmach

Journal:

Journal of Molecular Structure

Year:

2003

Language:

english

File:

PDF, 156 KB

english, 2003

63

Linear-dicroic infrared spectral analysis on the stereo structure of 4′-cyanophenylthiolbenzoate

M.G Arnaudov, B.B Ivanova, L.S Prangova

Journal:

Journal of Molecular Structure

Year:

2003

Language:

english

File:

PDF, 162 KB

english, 2003

64

Determination of the average orientation of low symmetry planar molecules in anisotropic solvent from two quantum chemically calculated vibrational transition moments

M. Rogojerov, G. Keresztury, B. Jordanov

Journal:

Journal of Molecular Structure

Year:

2003

Language:

english

File:

PDF, 141 KB

english, 2003

65

Infrared ellipsometric determination of the optical constants of polytetrafluoroethylene

Ernst-Heiner Korte, Arnulf Röseler

Journal:

Journal of Molecular Structure

Year:

2003

Language:

english

File:

PDF, 227 KB

english, 2003

66

Editorial Board

Journal:

Journal of Molecular Structure

Year:

2003

Language:

english

File:

PDF, 31 KB

english, 2003

67

Author Index

Journal:

Journal of Molecular Structure

Year:

2003

File:

PDF, 41 KB

2003

68

Subject Index

Journal:

Journal of Molecular Structure

Year:

2003

Language:

english

File:

PDF, 91 KB

english, 2003

69

Photo

Journal:

Journal of Molecular Structure

Year:

2003

File:

PDF, 112 KB

2003