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Papers quoted in Current Contents on project 1-07-165


Quoted papers: 130
Other papers: 130
Total: 260


Title: Molecular and Electronic Structure of Substituted Bithiophenes

Authors:
Novak, Igor (74291)
Ng, S.S.
Huang, H.H.
Mok, C.Y.
Khor, E.
Kovač, Branka (22640)
Journal: J. Phys. Org. Chem.
ISSN: 0894-3230
Volume: 4
Year: 1991
Pages: from 675 to 680
Number of references: 14
Language: engleski
Summary: Several substituted bithiophenes were prepared and their electronic structure studied by photoelectron spectroscopy and semi-empirical MO calculations. Comparison of the spectra of related molecules and anlysis of calculated molecular geometries gave an indication of molecular conformations in the gas phase.
Keywords: photoelectron spectra, bithiophene derivatives

Title: Photoelectron Spectra of Halogenofurans

Authors:
Nyulaszi, L.
Veszpremi, T.
Reffy, J.
Zsombok, G.
Cvitaš, Tomislav (7373)
Kovač, Branka (22640)
Klasinc, Leo (21130)
McGlynn, S.P.
Journal: Int. J. Quantum Chem. Quantum Chem. Symp.
ISSN: 0360-8832
Volume: 25
Year: 1991
Pages: from 479 to 487
Number of references: 16
Language: engleski
Summary: The uv photoelectron spectra of 2-halogenofurans, together with 3-iodo and 2,5-diiodofurans, have been studied. The assignment of the lower energy region of the spectra was based on correlation of the ring pi- and halogen levels in the related compounds, resolved vibrational structure, and in case of 2- and 2,5-diiodofurans by considering the relative intesities of their He I / He II spectra.
Keywords: photoelectron spectra, halogenofurans

Title: The Photoelectron Spectra of Metyl Pseudohalides

Authors:
Pasinszki, T.
Veszpremi, T.
Feher, M.
Kovač, Branka (22640)
Klasinc, Leo (21130)
McGlynn, S.P.
Journal: Int. J. Quantum Chem. Quantum Chem. Symp.
ISSN: 0020-7608
Volume: 26
Year: 1992
Pages: from 443 to 453
Number of references: 15
Language: engleski
Summary: The He I and He II PE spectra of methyl pseudohalides have been measured. Assignments are based on ab initio quantumchemical calculations, and their comparison with high-resolution He I spectra and He I / He II band intensity ratios.
Keywords: photoelectron spectra, methyl pseudohalides

Title: He I photoelectron spectra of some camphor derivatives

Authors:
Novak, Igor (74291)
Ng, S.C.
Kovač, Branka (22640)
Journal: Spectrochim. Acta
Number: 11
ISSN: 0584-8539
Volume: 49A
Year: 1993
Pages: from 1629 to 1631
Number of references: 8
Language: engleski
Summary: The electronic structure of camphor and some its derivatives has been descussed.
Keywords: photoelectron spectra, camphor and its derivatives

Title: Electronic Structure of Haloalkanes: a high resolution photoelectron spectroscopic study

Authors:
Novak, Igor (74291)
Klasinc, Leo (21130)
Kovač, Branka (22640)
McGlynn, S.P.
Journal: J. Mol. Struc.
ISSN: 0022-2860
Volume: 297
Year: 1993
Pages: from 383 to 391
Number of references: 14
Language: engleski
Summary: High resolution photoelectron spectra of a number of brom- and iodoalkanes have been measured. The interaction between the halogen one pair orbitals and the alkane orbitals dominate in dihaloalkanes for which n greater then 2, while through-spaceinteraction is important only in dihalomethanes.
Keywords: photoelectron spectra, haloalkanes

Title: Preparation of Series of (Imidazole)pentaaquachromium(III) Complexes and Kinetic of their Reduction by 1-Hydroxy-1-methylethyl Radicals

Authors:
Bakac, A.
Butković, Vjera (6313)
Espenson, J.H.
Marčec, Radovan (28196)
Orhanović, Mato (34193)
Journal: Inorg. Chem.
Number: 3
ISSN: 0020-1669
Volume: 30
Year: 1991
Pages: from 481 to 483
Number of references: 22
Language: engleski
Summary: A series of (imidazole)pentaaquachromium(III) complexes(H2O)5Cr(Im-X,Y)3+ were prepared and characterized in acidicaqueous solution. These complexes are reduced with C(CH3)2OH radicals with rate constants that vary with substituents on the imidazole ring. At 25oC the values of the rate constants k/105 Lmol-1(X,Y), are 1.1(1-CH3, H), 2.1.(2-CH3, H) 3.8.(4-CH3,, H),6.6.(H, H), 7.2.(4-CH3,, 5-CONH2,), and 16(4-Cl, 5-Cl). A mechanism is proposed where by the initial electron transfer takes place at coordinated imidazole, followed by a rapidintramolecular electron transfer to yield Cr(H2O)6 2+ andX,Y-ImH+.
Keywords: kinetics, reduction, electron transfer, 1-hydroxy-1-methylethylradical, (imidazole)pentaaquachromium(III) complexes

Title: Kinetics of the Reduction of Alkyl Halides by a Chromium(II) Macrocycle

Authors:
Bakac, A.
Butković, Vjera (6313)
Espenson, J.H.
Orhanović, Mato (34193)
Journal: Inorg. Chem.
Number: 25
ISSN: 0020-1669
Volume: 32
Year: 1993
Pages: from 5886 to 5888
Number of references: 31
Language: engleski
Summary: The macrocyclic chromium(II) complex (H2O)2Cr(14aneN4)2+, react with alkyl halides in aqueous and mixed H2O/tert-BuOH solution by halogen atom abstraction and yield equimolar amounts of alkylchromium and halochromium complexes. The reactivity order for the alkyl halides is CH3 Keywords: kinetic, reduction, alkyl halides, atom transfer, cheomium(II)macrocycle

Title: Transfer hydrogenation of cyclohexanone by rhodium(II) carboxylato complexes containing 1,4-benzodiazepines as nitrogen ligands

Authors:
Marčec, Radovan (28196)
Raza, Zlata
Šunjić, Vitomir
Journal: J. Mol. Catal.
Number: 1
ISSN: 1381-1169
Volume: 69
Year: 1991
Pages: from 25 to 31
Number of references: 21
Language: engleski
Summary: Catalytic hydrogen transfer on the cyclohexanone/2-propanol system by complexes formed in situ of Rh2(OAc)4 and the nitrogenligands of 1,4-benzodiazepine (1,4-BD) derivatives is studed. The positive relation between rate constants k and the (1,4-BD)/Rh ratio indicate the homogeneous nature of the catalytic process, proved by the absence of the inhibition effect of added mercury (Hg). A promoting effect of hydroxy ions on the rate was established and the relation between the ligand stracture and catalytic activity of the complex, expressed by k(obs) and progress curves for the hydrogen transfer process is discussed.
Keywords: transfer hydrogenation, homogeneous catalysis, cyclohexanone,rhodium(II)carboxylato complexes, 1,4-benzodiazepines,nitrogenligands

Title: Preparation Crystal Structure and Chiroptical Properties of Rh2(camphanate)4 . MeOH

Authors:
Kojić-Prodić, Biserka
Marčec, Radovan (28196)
Nigović, B.
Raza, Zlata
Šunjić, Vitomir
Journal: Tetrahedron:Asymetry
Number: 1
ISSN: 0957-4166
Volume: 3
Year: 1992
Pages: from 1 to 4
Number of references: 19
Language: engleski
Summary: Chiral Rh(II) complex of camphanic acid, versatile chiral agentis prepared, and its structure discussed on the basis of x-ray, UV/VIS and CD data.
Keywords: dirhodium tetracamphanate, x-ray structure determination, CD spectra

Title: Vertical Ionization Potentials of the Compounds Related to Lignin, 7. Rearrangement of Phenylalcohol Group into Quinonomethide and benzoquinonoid-Group Consequences for the Oxydation Processes in Lignin

Authors:
Shevchenko, S.M.
Zarubin, M.Ja.
Kovač, Branka (22640)
Paša-Tolić, Ljiljana (134150)
Klasinc, Leo (21130)
Journal: Khim. Dreves.
Number: 1
ISSN: 0201-7474
Year: 1991
Pages: from 95 to 99
Number of references: 15
Language: ruski
Summary: The possibility of oxidation of the molecule, i.e. the ease with which it releases the electron, is characterized by its first ionization potential.
Keywords: vertical ionization potentials, lignin model compounds

Title: Halogenated Peroxyl Radicals as Multi-Electron Oxidants: Pulse Radiolysis Study on the Reaction of Trichloromethyl Peroxyl Radicals with Iodide

Authors:
Bonifačić, Marija (4482)
Schoeneich, Christian
Asmus, Klaus-Dieter
Journal: J. Chem. Soc., Chem. Commu.
ISSN: 0022-4936
Year: 1991
Pages: from 1117 to 1119
Number of references: 13
Language: engleski
Summary: CCL3OO radicals are shown to oxidize three equivalents of iodide ions to yield one I2 molecule (showing up as I3- in aqueous solution) and one I atom (showing up as I2-) per peroxyl unit; the mechanism is considered to proceed via a protonated CCl3OO/I-adduct radical as the primary intermediate and subsequentnucleophilic (SN2) attack by a second iodide accompanied by electron localization in the hydroperoxide moiety leads to I2 and CCl3O. with the latter being responsible for the oxidation of the third iodide.
Keywords: peroxyl radicals, multi-electron exidation, iodide oxidation, pulse radiolysis

Title: One-Electron Reduction of Sulphonium Salts in Aqueous Solution: a Pulse Radiolisis Study

Authors:
Bonifačić, Marija (4482)
Anklam, Elke
Journal: J. Chem. Soc., Perkin Trans.
ISSN: 0300-9580
Volume: 2
Year: 1991
Pages: from 243 to 248
Number of references: 47
Language: engleski
Summary: Absolute rate constants have been measured for the reduction of 1-alkylthiolanium (1a-c), 1-alkylthianium (2a-e),1-(n-carboxyalkyl)thiolanium (3a,b) and 1-(n-carboxyalkyl)thianium (4a,b) salts and w-dimethylsulphonioalkanoic acid (5a,b), including biologically active S-methyl-methionine (6) and dimethyl -propiothetin (5b),by hydrated electron in aqueous solutions using the pulseradiolysis method. This reaction was found to occur very rapidly (k in the range 10E9 - 10E10 dm3 mol-1 s-1), the individual rate constants being dependent on the electron dependent on the electron inductive power of the substituents on the positive sulphur centre. The sulphuranyl radical R3S, a possible reaction intermediates, could not be detected whithin the 0.1 us timeresolution of the applied technique No reactio was observed between S-methylmethionine and CO2- or Me2COH under experimental conditions. The one-electron reduction potential of thissulphonium salts has been estimated to be <-1.8 V. C-centeredradicals produced upon the reduction of the cyclic sulphoniumsalts 1-methyl- and 1-ethylthiolanium and 1-methylthianium saltsby e-aq were characterized by using p-benzoquinone as a radicals cavenger. It was found that ring opening is the predominant process rather than the cleavage of methyl or ethyl radicals.
Keywords: sulphonium salts, one-electron reduction, S-methylmethionine, dimethyl- -prpiotethin, pulse ratiolysis

Title: Electronic Effects of Co-ordinated Methoxide on the Rates of Entry of Imidazole Derivatives into Dimethyl-1,7,12,17-tetramethyl-8,13-divinyl porphyrin-2,18-depropanoato(2) - (methanol)methoxocobalt(III) in Methanol

Authors:
Ašperger, Smiljko
Vrban, G.
Cetina-Čižmek, B.
Orhanović, Mato (34193)
Journal: J. Chem. Soc., Dalton Trans.
Number: 7
ISSN: 0300-9246
Year: 1991
Pages: from 1847 to 1849
Number of references: 14
Language: engleski
Summary: The rates of replacement of MeOH by imidazole derivatives in (CoIII L(MeO)(MeOH) (L=dimethyl-3,7,12,17-tetramethyl-8,13,-divinilporphyrin-2,18,-dipropanoste ) we measured. The mosta basic derivative interes most slowly, as was previously observed for pyridinederivatives. However the rates of entry of imidazoles are about 50 times smaller than those of pyridenes. The energies of entropies of activation of the overall reaction with pyridine(py) and imidazole (Him) are Ea/kJ mol-1=40.0 3.1 (py) and 76.43.8 (Him), and S+/JK-1mol-1= -105 1 (py), and -13.2 12.8 (Him).It is referred that the transition state in the reaction with py is stabilised by sigma and partial metal-to-ligand pi-bonding,while that in the reaction with imidazole involves sigma bonding only.
Keywords: kinetic, imidazole,dimetil-3,7,12,17-tetramethyl-8,13,-divinylporphyrin-2,1 8dipropanoate

Title: Raman spectroscopic study of H2O and D2O water solutions of glycine

Authors:
Furić, K.
Mohaček, V.
Bonifačić, Marija (4482)
Štefanić, Igor (190073)
Journal: J. Mol. Struc.
ISSN: 0022-2860
Volume: 267
Year: 1992
Pages: from 39 to 44
Number of references: 7
Language: engleski
Summary: The Raman spectra of glycine molecule have been studied for solid state, as well as for ordinary and heavy water solutions. Some new bands were observed, causing our assignment to differ from previous two and yet reconciling them both. In the concentration dependence study unusual downshift and intensity change of certain bands were noticed. This is explained by assumption of the Fermi resonance model and weak hydrogen bonding arising between glycine and solvent molecules.
Keywords: Raman spectroscopy, glycine, D2O, Fermi resonance, Hydrogenbonding

Title: Mechanistic Study of the Decomposition Reactions of Azobenzene

Authors:
Srzić, Dunja (44385)
Žinić, Mladen
Meić, Zlatko
Czira, Gabor
Tamas, Jozsef
Journal: Org. Mass Spectrom.
ISSN: 0030-493X
Volume: 27
Year: 1992
Pages: from 1305 to 1310
Number of references: 30
Language: engleski
Summary: The electron impact induced fragmentation of azobenzenes and itsd1, d2, d5, d10 and 15N analogues was studied by massspectrometry and ion kinetic energy spectroscopy. The mainfragment ions found in the mass spectrum of azobenzene are due totwo parallel stepwise processes from the molecular ion: (i) theexpulsion of N2 and two hydrogen radicals producing an ion at m/z152 having possibly a biphenylene radical cation structure, (ii)loss of C6H5. and N2. Except in the elimination of two hydrogenradicals from M-N2+. ions, hydrogen scrambling between thephenylrings does not feature in azobenzene upon electron impact.
Keywords: azobenzene, mass spectrometry, ion kinetic energy spectroscopy

Title: Randomization in the Fragmentation of Benzophenone

Authors:
Srzić, Dunja (44385)
Martinović, Suzana (188216)
Vujanić, P.
Meić, Zlatko
Journal: Rapid Commu. Mass Spectrom.
ISSN: 0951-4198
Volume: 7
Year: 1993
Pages: from 163 to 166
Number of references: 18
Language: engleski
Summary: The hydrogen and carbon randomization in the mass spectrometricbehaviour of benzophenone has been studied by deuterium and13C-labelling. Hydrogen scrambling is involved only in thereactions of primary loss of hydrogen from molecular ions, aswell as in secondary elimination of two hyrogen atoms from M-CO+. ions. The carbon randomization does not feature inbenzophenone upon electron impact.
Keywords: benzophenone, mass spectrometry, hydrogen randomization, carbon randomization

Title: Long-Range Interactions of Substituents in Steroidal Molecules

Authors:
Klasinc, Leo (21130)
Paša-Tolić, Ljiljana (134150)
Spiegl, H.
Knop, J.V.
McGlynn, S.P.
Journal: Int. J. Quantum Chem., Quantum Biol. Symp.
ISSN: 0360-8832
Volume: 20
Year: 1993
Pages: from 191 to 198
Number of references: 32
Language: engleski
Summary: The dependence of the long-range electronic interactions ofcarbonyl groups on the basis ring structure and the position ofsubstituents was studied using MNDO algorithm.
Keywords: steroidal molecules, long-range interactions, MNDO

Title: Ozone Destruction on Powders

Authors:
Alebić-Juretić, Ana (122402)
Cvitaš, Tomislav (7373)
Klasinc, Leo (21130)
Journal: Ber. Bunsenges. Phys. Chem.
Number: 3
ISSN: 0005-9021
Volume: 96
Year: 1992
Pages: from 493 to 495
Number of references: 9
Language: engleski
Summary: The destruction of ozone on silica-gel, Al2O3, NaCl, calcite,Saharan sand and wood ash as model powder was studied in afluidized bed reactor. An elevted ambient concentration of O3(100 ppb) in the filtered air stream was applied during thisexperimets. The relative effectivness of ozone destruction was inthe order Al2O3>sood ash>silica-gel,, followed by Saharansand>calcite>NaCl. The implication of this result on ozonemeasurements in particle-rich atmospheres is discussed.
Keywords: adsorption, chemical kinetic, gases, materials properties, surfaces

Title: Electronic Structure of S2F10

Authors:
Novak, Igor (74291)
Journal: Inorg. Chim. Acta
ISSN: 0020-1693
Volume: 181
Year: 1991
Pages: from 81 to 83
Number of references: 6
Language: engleski
Summary: The electronic structure of S2F10 has been studied bysemi-empirical and ab initio MO methods. Both conformers,staggered and eclipsed show a very similar electronic structurewhich can be rationalized in terms of an SF6 dimer.
Keywords: electronic structure, S2F10, SF6-dimer, semi-empirical calculations ab initio calculations

Title: Structure and Properties of Unknown Haloboranes

Authors:
Novak, Igor (74291)
Journal: Inorg. Chim. Acta
ISSN: 0020-1693
Volume: 181
Year: 1991
Pages: from 281 to 284
Number of references: 11
Language: engleski
Summary: Molecular and electronic structures of several little knownhaloboranes: BH2F, BH2Cl, BH2Br, BH2I, BHFCl, BHBr2 and BHI2 havebeen studied using non-relaticistic ab initio calculationsemploying extended basis sets.
Keywords: electronic structure, molecular structure, non-relativistic ab initio calculaations, BH2F, BH2Cl, BH2Br, BH2I, BHFCl, BHBr2, BHI2

Title: Matrix isolation in photoelectron spectroscopy

Authors:
Potts, A.W.
Anjum, S.
Benson, J.
Novak, Igor (74291)
Journal: Chem. Phys.
ISSN: 0301-0104
Volume: 161
Year: 1992
Pages: from 281 to 288
Number of references: 32
Language: engleski
Summary: Some volatile inorganic species have been trapped in a zincmatrix using the process of co-condensation and their UVphotoelectron spectra have been recorded. These are seen tocorrespond to broadened versions of the molecular spectra withionization energies subject to small polarization shifts.
Keywords: matrix isolation, photoelectron spectroscopy

Title: Heat of formation of CH2OH and D(0) (H-CH2OH)

Authors:
Ruščić, Branko (41865)
Berkowitz, J.
Journal: J. Chem. Phys.
ISSN: 0022-3654
Volume: 97
Year: 1993
Pages: from 11451 to 11455
Number of references: 28
Language: engleski
Summary: The appearance potential of CH2OH(+) from CH3OH has beenreexamined by a more extensive analysis. Other quantities whichcan be derived from this value include heat of formation andproton affinity of CH2O.

Title: Photoionization mass spectrometry of CH2S and HCS

Authors:
Ruščić, Branko (41865)
Berkowitz, J.
Journal: J. Chem. Phys.
Number: 4
ISSN: 0021-9606
Volume: 98
Year: 1993
Pages: from 2568 to 2579
Number of references: 40
Language: engleski
Summary: Transient species CH2S and HCS were studied by photoionizationmass spectrometry They were prepared in situ from CH3SH bysequential hydrogen abstraction with fluorine atoms.
Keywords: CH2S, HCS, photoionization mass spectrometry, photoion yield curve, adiabatic ionization potentional, heats of formation

Title: Laser Optogalvanic Spectrum of Cesium in a Radiofrequence Discharge

Authors:
Kumar, D.
Clancy, P.L.
Klasinc, Leo (21130)
McGlynn, S.P.
Journal: Croat. Chem. Acta
Number: 1
ISSN: 0011-1643
Volume: 66
Year: 1993
Pages: from 217 to 225
Number of references: 38
Language: engleski
Summary: The laser optogalvanic (LOG) spectrum of cesium vapor at -50 mTorr in a law powder (<1W), 30MHz radiofrequency discharge hasbeen recorded on the range 16.250 to 16.860 cm-1. Members ofseveral Rydberg series (6p ns, 6p nd, 5d np, 5d nf) thetterminate on the first ionization limit have been observed. Theline broadening of high-n (n>30) f-levels in cesium isconsiderably less than in xenon. The excessive broadening inxenon is attributed in part to interactions of the Rydbergelectron with the open-shell core.
Keywords: laser optogalvanic spctroscopy

Title: Ab initio Calculations on ONOOH and ONOO-

Authors:
Koppenol, W. H.
Klasinc, Leo (21130)
Journal: Int. J. Quantum Chem., Quantum Biol. Symp.
ISSN: 0360-8832
Volume: 20
Year: 1993
Pages: from 1 to 6
Number of references: 6
Language: engleski
Summary: The geometry and electronic structure of peroxynitrous acid(O=NOOH) and peroxynitrite ion (O=NOO-) were studied at the6-31G** level. The cis- and trans-configuration of both werecompared. The electronic structure is discusse from the point ofview of the reactivities and transformation processes of ONOOHand ONOO-.
Keywords: geometry, electronic structure, ONOOH, ONOO-, ab initio calculations, 6-31G** level

Title: Measuremaents of Tropospheric Ozone in the East Mediterranean Region

Authors:
Cvitaš, Tomislav (7373)
Klasinc, Leo (21130)
Journal: Bolletino Geofisico
Number: 1
Volume: 16
Year: 1993
Pages: from 521 to 527
Number of references: 14
Language: engleski
Summary: The results obtained by monitoring ozone in different regionalong the Adriatic coast and in Aegean region during summer andfrom measurements in Cairo, Egypt in March 1990 are reported andanalyzed. In general tropospheric ozone concentrations are higherin the northern than in the southern Adriatic region. Peaksvaluea in urban air of Athens frequently exceed the air qualitiystandards, but high values have been measured even on arelatively remote island Paros. The urban air in Cairo did notshow high ozone concentrations during March 1990 in spite of theheavy traffic and relatively intense sunshine.
Keywords: ozone, tropospheric ozone

Title: Stratospheric ozone intrusion over Zagreb, Croatia, on February 6 1990

Authors:
Marki, A.
Tiljak, Damir (163332)
Klasinc, Leo (21130)
Cvitaš, Tomislav (7373)
Lisac, I.
Journal: Meteorol. Zeitschrift, N.F.
Number: 10
ISSN: 0941-2948
Volume: 2
Year: 1993
Pages: from 224 to 231
Number of references: 12
Language: engleski
Summary: On February 6, 1990 at 10.45 UTC the ozone volume fraction inZagreb at Ruđer Bošković Institute (182m a.s.l.) suddenly rosefrom 2 ppb to 100 ppb and remained at unusually high values foranother five hours. With a delay of approcimately one hours atPuntijarka (which is 10 km north and 980 m a.s.l.) a rise rom 40ppb to out of scale (i.e. much higher than 100 ppb) occured.Episodes of simultaneous high ozone values, however withdecreacing intensity, have ben observed at both station again onFebruary 7, and on February 8. Since insolation at this time ofyear in Zagreb is hardly sufficient for production of troposfericozone volume fractions higher than 30 ppb, a case ofstratospheric intrsion is assumed. However, both station are atrelattively low altitude and at the higher one the ozone peak wasregistrated. Actual meteorogical condition over Europe and aroundZagreb in particular were favouralble for an ozone intrusion eastof Zagreba earlier on February 6, in accordance with the observedbehaviour. On these days a high pressure system rested overEurope. On February 6, surface wind in Zagreb blew from east,thus explainig that the ozone package might have reached RuđerBošković Institute prior to Puntijarka. The analysis of thisevent is given.
Keywords: ozone volume fraction, intrusion

Title: Solvent Effect in Dense Gasses

Authors:
McGlynn, S.P.
Asaf, U.
Kumar, D.
Felps, S.
Rupnik, Krešimir (77441)
Klasinc, Leo (21130)
Journal: Int. J. Quantum Chem.
ISSN: 0020-7608
Volume: 39
Year: 1991
Pages: from 399 to 409
Number of references: 10
Language: engleski
Summary: The effect of perturber gases, partial pressures in the range0-50 atm, on the absorption Rydberg spectra with n>10, in methyliodide and benzene have been investigated. The perturbers wererate gases and H2. It has been shown that the spectroscopicenergy shift = (p,n), is given by = op, were p is the numberdensity of the perturber, for n>10 found to exist.
Keywords: perturber gases, absorption Rydberg spectra, methyl iodide, benzene

Title: Ab initio Calculation on 5alfa-androstane

Authors:
Paša-Tolić, Ljiljana (134150)
Klasinc, Leo (21130)
Spiegl, H.
Knop, J.V.
McGlynn, S.P.
Journal: Int. J. Quantum Chem.
ISSN: 0020-7608
Volume: 41
Year: 1992
Pages: from 815 to 827
Number of references: 12
Language: engleski
Summary: The electronic structure of 5alfa-androstane has been computed byab initio SCF methods in an STO 3G-basis. The results arecompared with existing mNDO computations and are used to discusslong-range electronic interactions between distant substituents.
Keywords: 5alfa-androstane, long-range interactions, ab initio

Title: Conductance Study of Ion-Pair of Dibenzo-24-crown-8 Complexes With Sodium Monoakyl Benzeneazophosphonates in Acetonitrile

Authors:
Tušek-Božić, Ljerka (50922)
Journal: Electrochim. Acta
Number: 3
ISSN: 0013-4686
Volume: 39
Year: 1994
Pages: from 471 to 473
Number of references: 14
Language: engleski

Title: Crystalization of Calcium Oxalate in Molecular and Micellar Sollutions of Sodium Cholate

Authors:
Škrtić, D.
Filipović-Vinceković, Nada (11783)
Babić-Ivančić, Vesna
Tušek-Božić, Ljerka (50922)
Fueredi-Milhofer, Helga (12650)
Journal: Mol. Cryst. Liq. Cryst.
Number: 2
ISSN: 0026-8941
Volume: 248
Year: 1994
Pages: from 149 to 158
Number of references: 14
Language: engleski

Title: Synthesis, Characterization and Crystal Structures of (Mo(CO)5)4TPTA and (W(CO)5)4TPTA N(TPTA=1,4,8,11-tetrakis(methyldiphenylphosphino)-1,4,8,11-tetraazacyclotet radecane)

Authors:
Planinić, Pavica (5705)
Meider, Henrika (30332)
Matković-Čalogović, Dubravka
Journal: J. Organomet. Chem.
Number: 3
ISSN: 0022-328X
Volume: 483
Year: 1994
Pages: from 205 to 212
Number of references: 24
Language: engleski

Title: The Laplacian Matrix in Chemistry

Authors:
Trinajstić, Nenad (50450)
Babić, Darko (53240)
Nikolić, Sonja (84281)
Plavšić, Dejan (76010)
Amić, D.
Mihalić, Z.
Journal: J. Chem. Inf. Comput. Sci.
Number: 2
ISSN: 0095-2338
Volume: 34
Year: 1994
Pages: from 368 to 376
Number of references: 52
Language: engleski

Title: Laser-desorption Fourier-transform Mass Spectrometry of (Ta6X12)X2 . 8H2O, X=Cl,Br

Authors:
Srzić, Dunja (44385)
Paša-Tolić, Ljiljana (134150)
Martinović, Suzana (188216)
Plavšić, Dejan (76010)
Klasinc, Leo (21130)
Journal: Rapid Commu. Mass Spectrom.
Number: 1
ISSN: 0951-4198
Volume: 8
Year: 1994
Pages: from 56 to 58
Number of references: 12
Language: engleski

Title: 13C NMR Studies of Some Dialkyl alfa-Anilinobenzylphosphonates and Dialkyl alfa-Anilno-(2-hydroxybenzyl)phosphonates

Authors:
Ćurić, Manda (124246)
Tušek-Božić, Ljerka (50922)
Vikić-Topić, Dražen
Journal: Magn. Reson. Chem.
Number: 1
ISSN: 0749-1581
Volume: 33
Year: 1995
Pages: from 27 to 33
Number of references: 24
Language: engleski

Title: Biological Activity of Some Dialkyl alfa-Anilinobenzylphosponates and Their Palladium(II) Complexes

Authors:
Tušek-Božić, Ljerka (50922)
Ćurić, Manda (124246)
Balzarini, J.
De Clercq, E.
Journal: Nucleosides Nucleotides
Number: 3-5
ISSN: 0732-8311
Volume: 14
Year: 1995
Pages: from 777 to 781
Number of references: 8
Language: engleski

Title: Vertical Inonization Potentials of the Compounds Related to Lignin, 8. Coniferyl Alcohol

Authors:
Shevchenko, S.M.
Jakobsons, Yu. K.
Kovač, Branka (22640)
Paša-Tolić, Ljiljana (134150)
Klasinc, Leo (21130)
Journal: Khim. Dreves.
ISSN: 0201-7474
Year: 1991
Pages: from 81 to 85
Number of references: 20
Language: ruski

Title: Positional and Conformational Dependence of Long-Range Interacions in 3,16- and 3-17-Androstanediones

Authors:
Klasinc, Leo (21130)
Paša-Tolić, Ljiljana (134150)
Spiegl, H.
Knop, J.V.
McGlynn, S.P.
Journal: J. Math. Chem.
ISSN: 0259-9791
Volume: 8
Year: 1991
Pages: from 179 to 184
Number of references: 9
Language: engleski

Title: LD FTMS Investigation of Rh(I) Complexes with Chiral 1,5-Bisnitrogen Ligands

Authors:
Srzić, Dunja (44385)
Martinović, Suzana (188216)
Paša-Tolić, Ljiljana (134150)
Šepac, D.
Šunjić, Vitomir
Journal: Croat. Chem. Acta
Number: 1
ISSN: 0011-1643
Volume: 67
Year: 1994
Pages: from 149 to 153
Number of references: 5
Language: engleski

Title: Synthesis and Laser Desorption Fourier Transform Mass Spectromery of Massive Fullerenes

Authors:
Zorc, Hrvoj
Paša-Tolić, Ljiljana (134150)
Martinović, Suzana (188216)
Srzić, Dunja (44385)
Journal: Full. Sci. Tech.
Number: 4
ISSN: 1064-122X
Volume: 4
Year: 1994
Pages: from 471 to 480
Number of references: 15
Language: engleski

Title: Ozone formation in the greater Cairo area

Authors:
Guesten, H.
Heinrich, G.
Wepper, J.
Abdel, M.M.
Abdel-Hay, F.A.
Ramadan, A.B.
Tawfik, F.S.
Ahmed, D.M.
Hassan, G.K.Y.
Cvitaš, Tomislav (7373)
Jeftić, Jelena
Klasinc, Leo (21130)
Journal: Sci. Tot. Environ.
ISSN: 0048-9697
Volume: 155
Year: 1994
Pages: from 285 to 295
Number of references: 24
Language: engleski

Title: Lesion Spectra: Radiation Signatures and Biological Gatways

Authors:
Rupnik, Krešimir (77441)
Klasinc, Leo (21130)
Varma, M.
Battista, J.
McGlynn, S.P.
Journal: J. Chem. Inf. Comput. Sci.
ISSN: 0095-2338
Volume: 34
Year: 1994
Pages: from 1054 to 1063
Number of references: 19
Language: engleski

Title: Radiation Signatures and Radiation Markers

Authors:
McGlynn, S.P.
Rupnik, Krešimir (77441)
Varma, M.
Klasinc, Leo (21130)
Journal: Radiation Protection Dosimetry
Volume: 52
Year: 1994
Pages: from 155 to 164
Number of references: 20
Language: engleski

Title: Photoelectron Spectra of Alkyldiaziridines

Authors:
Klasinc, Leo (21130)
Mannschrek, A.
Mintas, M.
McGlynn, S.P.
Journal: J. Chem. Soc., Perkin Trans.
Volume: 2
Year: 1994
Pages: from 2059 to 2062
Language: engleski

Title: n,p-Interactions in polycyclic unsaturated ketones: Photoelectron spectroscopic study

Authors:
Kovač, Branka (22640)
Novak, Igor (74291)
Mlinarić-Majerski, K.
Vinković, M.
Kaselj, M.
Journal: J. Organomet. Chem.
ISSN: 0022-3263
Volume: 59
Year: 1994
Pages: from 3033 to 3036
Number of references: 17
Language: engleski

Title: Laser Desorprion Fourier-transform Mass Spectrometry of Lignins

Authors:
Srzić, Dunja (44385)
Martinović, Suzana (188216)
Paša-Tolić, Ljiljana (134150)
Kezele, Nenad
Shevchenko, S.M.
Klasinc, Leo (21130)
Journal: Rapid Commu. Mass Spectrom.
Number: 3
ISSN: 0951-4198
Volume: 9
Year: 1995
Pages: from 245 to 249
Number of references: 21
Language: engleski

Title: Tropospheric ozone measurements in Croatia

Authors:
Cvitaš, Tomislav (7373)
Kezele, Nenad
Klasinc, Leo (21130)
Lisac, I.
Journal: Pure Appl. Chem.
Number: 8/9
ISSN: 0033-4545
Volume: 67
Year: 1995
Pages: from 1450 to 1453
Number of references: 11
Language: engleski

Title: NMR Spectroscopic Study of Camphanic Acid and Rh2(camphanate)4, and its Adducts with 1,4-benzodiazepines

Authors:
Klaić, B.
Raza, Zlata
Marčec, Radovan (28196)
Vinković, M.
Šunjić, Vitomir
Journal: Spectrosc. Lett.
Number: 5
ISSN: 0038-7010
Volume: 28
Year: 1995
Pages: from 687 to 693
Number of references: 19
Language: engleski

Title: Lasser Desorption Fourier Transform Mass Spectrometry of Lignins

Authors:
Klasinc, Leo (21130)
Mannschrek, A.
Mintas, M.
McGlynn, S.P.
Journal: Rapid Commu. Mass Spectrom.
ISSN: 0951-4198
Volume: 9
Year: 1995
Pages: from 245 to 249
Number of references: 21
Language: engleski

Title: Electronic Structure of Substituted Bicycloheptanones (Camphors)

Authors:
Novak, Igor (74291)
Kovač, Branka (22640)
Journal: J. Electron Spectrosc. (Data Bank)
ISSN: 0368-2048
Volume: 70
Year: 1995
Pages: from 259 to 261
Number of references: 8
Language: engleski

Title: Transannular Interactions in Morpholines: "Photoelectron Spectroscopic Studies"

Authors:
Novak, Igor (74291)
Kovač, Branka (22640)
Journal: Heteroatom Chem.
Volume: 6
Year: 1995
Pages: from 29 to 31
Language: engleski

Title: Nature of the highest occupied molecular orbitals of trans- and cis-bicyclo (4,1,0)hept-3-enes

Authors:
Gassman, P.G.
Mlinarić-Majerski, K.
Kovač, Branka (22640)
Chen, H.
Dixon, D.A.
Journal: J. Phys. Org. Chem.
ISSN: 0894-3230
Volume: 8
Year: 1995
Pages: from 149 to 158
Number of references: 26
Language: engleski

Title: One-Electron Oxidation and Reduction Reactions of Vitamin C Derivatives: 6-Bromao- and 6-Chloro-6deoxy-ascorbic Acid

Authors:
Bonifačić, Marija (4482)
Ljubenkov, Ivica
Eckert-Maksić, Mirjana
Journal: Int. J. Radiat. Biol.
Number: 2
ISSN: 0955-3002
Volume: 66
Year: 1994
Pages: from 123 to 131
Number of references: 13
Language: engleski

Title: Determination of Absolute Rate Constants for the Reversible Hydrogen-atom Transfer between Thyl RAdicals and Alcohols or Ethers

Authors:
Schoeneich, Christian
Asmus, Klaus-Dieter
Bonifačić, Marija (4482)
Journal: J. Chem. Soc. Faraday Trans.
Number: 13
ISSN: 0956-5000
Volume: 91
Year: 1995
Pages: from 1923 to 1930
Number of references: 45
Language: engleski

Title: Off-Yxis Injection into an ICR Iron Trap: A Means for Efficient Capture of a Continuous Beam of Externally Generated Ions

Authors:
Guan, S.
Paša-Tolić, Ljiljana (134150)
Marschall, A.G.
Xiang, X.
Journal: Int. J. Mass Spectrom. Ion Proc.
Volume: 139
Year: 1994
Pages: from 75 to 86
Language: engleski

Title: Collision-Induced Dissociation for Mass Sectrometric Sequencing of Biopolymers: High-Resolution Fourier Transform Ion Cyclotron Resonsance MS4

Authors:
Huang, Y.
Paša-Tolić, Ljiljana (134150)
Guan, S.
Marschall, A.G.
Journal: Anal. Chem
Volume: 66
Year: 1994
Pages: from 4385 to 4389
Language: engleski

Title: Photoelectron Spectroscopic Study of Novel Group 14 Functionalized Vinylcyclopropanes

Authors:
Eckert-Maksić, Mirjana
Golič, M.
Paša-Tolić, Ljiljana (134150)
Journal: J. Organometallic Chem.
Volume: 489
Year: 1995
Pages: from 35 to 41
Language: engleski

Title: Ultrahigh-Resolution Matrix-Assisted Laser Desorption/Ionization Fourier Transform Ion Cyclotron Resonace Mass Spectra of Peptides

Authors:
Paša-Tolić, Ljiljana (134150)
Huang, Y.
Guan, S.
Kim, H.S.
Marschall, A.G.
Journal: J. Mass Spectrom.
Volume: 30
Year: 1995
Pages: from 825 to 833
Language: engleski

Title: Molecular and Electronic Structure of AsHnX3-n (X=F,Cl)

Authors:
Novak, Igor (74291)
Journal: Inorg. Chim. Acta
ISSN: 0020-1693
Volume: 186
Year: 1991
Pages: from 131 to 134
Language: engleski

Title: Conformation of 2,2'-bithiophene and Its Derivatives in Different Aggregation States

Authors:
Novak, Igor (74291)
Ng, S.C.
Mok, K.F.
Mok, C.Y.
Huang, H.H.
Journal: J. Chem. Res. (S)
ISSN: 0308-2342
Year: 1992
Pages: from 350 to 351

Title: Molecular and Electronic Structure of Br2O

Authors:
Novak, Igor (74291)
Journal: Struc. Chem.
ISSN: 1040-0400
Volume: 3
Year: 1992
Pages: from 377 to 379
Language: engleski

Title: Molecular and Electronic Structure of Selenium and Tellurium Tetrahalides

Authors:
Novak, Igor (74291)
Journal: Heteroatom Chem.
ISSN: 1042-7163
Volume: 3
Year: 1992
Pages: from 431 to 434
Language: engleski

Title: He I Photoelectron Spectra of Bifurans and Thienylfurans

Authors:
Novak, Igor (74291)
Ng, S.C.
Chua, Y.T.
Mok, C.Y.
Huang, H.H.
Journal: J. Electron Spectrosc. Relat. Phenom.
ISSN: 0368-2048
Volume: 61
Year: 1992
Pages: from 143 to 147
Language: engleski

Title: He I Photoelectron Spectra of Condensed Organic Halides

Authors:
Potts, A.W.
Anjum, S.
Benson, J.
Novak, Igor (74291)
Journal: J. Electron Spectrosc. Relat. Phenom.
ISSN: 0368-2048
Volume: 61
Year: 1992
Pages: from 43 to 54
Language: engleski

Title: Electronic Structure of Thiophenes with Mixes Substituents

Authors:
Novak, Igor (74291)
Ng, S.C.
Chua, Y.T.
Mok, C.Y.
Huang, H.H.
Journal: J. Electron Spectrosc. Relat. Phenom.
ISSN: 0368-2048
Volume: 63
Year: 1993
Pages: from 85,90
Language: engleski

Title: Crystal Structures of 3,5,5'-trichloro-2,2'-bithiophene and 3,3',5,5'-tetrachloro-2,2'-bithiophene

Authors:
Mok, K.F.
Ng, S.C.
Novak, Igor (74291)
Huang, H.H.
Journal: J. Cryst. Spectrosc. Res.
ISSN: 0277-8068
Volume: 23
Year: 1993
Pages: from 799 to 799
Language: engleski

Title: Electronic Structure of Diphosphazene Derivative

Authors:
Ang, H. G.
Kwik, W. L.
Novak, Igor (74291)
Journal: J. Chem. Res. (S)
ISSN: 0308-2342
Year: 1993
Pages: from 422 to 423
Language: engleski

Title: Combinatorial Analysis in Chemistry: Halomethanes

Authors:
Novak, Igor (74291)
Journal: J. Chem. Educ.
ISSN: 0021-9584
Volume: 70
Year: 1993
Pages: from 548 to 548
Language: engleski

Title: The Photoelectron Spectrum of a Chiral Molecule CHFClBr

Authors:
Novak, Igor (74291)
Ng, S.C.
Potts, A.W.
Journal: Chem. Phus. Lett.
ISSN: 0009-2614
Volume: 215
Year: 1993
Pages: from 561 to 564
Language: engleski

Title: Electronic Structure of Ethynyl Thiophenes

Authors:
Novak, Igor (74291)
Ng, S.C.
Fang, J.
Mok, C.Y.
Huang, H.H.
Journal: J. Phys. Chem.
ISSN: 0022-3654
Volume: 98
Year: 1994
Pages: from 748 to 751
Language: engleski

Title: Haloallenes: Chiral Compounds without Chiral Carbon Atoms

Authors:
Novak, Igor (74291)
Journal: J. Chem. Educ.
ISSN: 0021-9584
Volume: 74
Year: 1994
Pages: from 579 to 579
Language: engleski

Title: Inverse Problem of Isomer Enumeration

Authors:
Novak, Igor (74291)
Journal: J. Chem. Educ.
ISSN: 0021-9584
Volume: 71
Year: 1994
Pages: from 579 to 579
Language: engleski

Title: Photoelectron Soectroscopic Study of Sulfur-Sulfur Interactions in Macrocyclic Thioethers

Authors:
Novak, Igor (74291)
Ng, S.C.
Potts, A.W.
Journal: Spectrochim. Acta
ISSN: 0584-8539
Volume: 50
Year: 1994
Pages: from 353 to 356
Language: engleski

Title: Molecular and Electronic Structure of Bromamines

Authors:
Novak, Igor (74291)
Journal: Heteroatom Chem.
ISSN: 1042-7163
Volume: 5
Year: 1994
Pages: from 145 to 148
Language: engleski

Title: Electronic Structure of Bichalcophenes

Authors:
Novak, Igor (74291)
Ng, S.C.
Chua, Y.T.
Mok, C.Y.
Huang, H.H.
Journal: J. Phys. Chem.
ISSN: 0022-3654
Volume: 98
Year: 1994
Pages: from 5240 to 5243
Language: engleski

Title: He II Photoelectron Spectra of Bifurans and Thienylfurans

Authors:
Novak, Igor (74291)
Ng, S.C.
Chua, Y.T.
Mok, C.Y.
Huang, H.H.
Journal: J. Electron Spectrosc. Relat. Phenom.
ISSN: 0368-2048
Volume: 69
Year: 1994
Pages: from 177 to 180
Language: engleski

Title: New Organica Polymer Precursors: Synthesis and Electronic Structure of Thienylpyridines and Thienylethynylpyridines

Authors:
Novak, Igor (74291)
Ng, S.C.
Mok, C.Y.
Huang, H.H.
Fang, J.
Wang, K.K
Journal: J. Chem. Soc., Perkin Trans.
ISSN: 0300-9580
Volume: 2
Year: 1994
Pages: from 1771 to 1775
Language: engleski

Title: Conformational Studies of Selectively Methylated (2,2)(1,3)(1,4)Cyclophanes. Steric Effects in tha Relative Conformational Ground States

Authors:
Lai, Y.H.
Yap, A.H.T.
Novak, Igor (74291)
Journal: J. Organomet. Chem.
ISSN: 0022-3263
Volume: 59
Year: 1994
Pages: from 3381 to 3385
Language: engleski

Title: Isonumeric Compounds:Derivatives Enumeration

Authors:
Novak, Igor (74291)
Journal: Z. Naturforsch. Teil. A
ISSN: 0340-4811
Volume: 49
Year: 1994
Pages: from 790 to 792
Language: engleski

Title: Electronic Structure of Arsinous Azides

Authors:
Ang, H. G.
Lee, Y.W.
Novak, Igor (74291)
Potts, A.W.
Journal: J. Phys. Chem.
ISSN: 0022-3654
Volume: 98
Year: 1994
Pages: from 12526 to 12529
Language: engleski

Title: Investigation of the Ferroelectric Phase Transition in (CH3NH3)Cl3

Authors:
Jiang, Z.T.
James, B.D.
Liesegang, J.
Tan, K.L.
Gopalakrishnan, R.
Novak, Igor (74291)
Journal: J. Phys. Chem. Solids
ISSN: 0022-3697
Volume: 56
Year: 1995
Pages: from 277 to 283
Language: engleski

Title: Substituent Effects in Thiophenes

Authors:
Novak, Igor (74291)
Journal: Croat. Chem. Acta
ISSN: 0011-1643
Volume: 68
Year: 1995
Pages: from 399 to 402
Language: engleski

Title: Molecular Ismorphism

Authors:
Novak, Igor (74291)
Journal: Eur. J. Phys.
ISSN: 0143-0807
Volume: 16
Year: 1995
Pages: from 151 to 153
Language: engleski

Title: n,p-Conjugation in N-methylvinylamine. A Photoelectron Spectroscopic Study

Authors:
Fang, J.
Sim, C.W.
Mok, C.Y.
Huang, H.H.
Novak, Igor (74291)
Journal: J. Chem. Soc., Perkin Trans.
ISSN: 0300-9580
Volume: 2
Year: 1995
Pages: from 1625 to 1627
Language: engleski

Title: Photoionizatuio Mass Spectrometric Studies of the Isomeric Transient Species CD2OH3 and CD3O

Authors:
Ruščić, Branko (41865)
Berkowitz, J.
Journal: J. Chem. Phys.
ISSN: 0021-9606
Volume: 95
Year: 1991
Pages: from 4033 to 4039
Language: engleski

Title: Photoionization Mass Spectrometric Study of CH3OF

Authors:
Ruščić, Branko (41865)
Appelman, E.H.
Berkowitz, J.
Journal: J. Chem. Phys.
ISSN: 0021-9606
Volume: 95
Year: 1991
Pages: from 7957 to 7961
Language: engleski

Title: The Three Laws for Do(BiF)

Authors:
Yoo, R. K.
Ruščić, Branko (41865)
Berkowitz, J.
Journal: Chem. Phys.
Volume: 166
Year: 1992
Pages: from 215 to 227
Language: engleski

Title: Photoionization Mass Spectrometry of CH2S and HCS

Authors:
Ruščić, Branko (41865)
Berkowitz, J.
Journal: J. Chem. Phys.
ISSN: 0021-9606
Year: 1993
Pages: from 2568 to 2579
Language: engleski

Title: Photoionization of Group V Trimers and Tetramers

Authors:
Yoo, R. K.
Ruščić, Branko (41865)
Berkowitz, J.
Journal: J. Electron Spectrosc.
Volume: 66
Year: 1993
Pages: from 39 to 54
Language: engleski

Title: The N-NCO -Bond Energy and DHf (NCO)n from Photoionization Mass Spectrometry Studies of HNCO and NCO

Authors:
Ruščić, Branko (41865)
Berkowitz, J.
Journal: J. Chem. Phys.
ISSN: 0021-9606
Volume: 100
Year: 1994
Pages: from 4498 to 4508
Language: engleski

Title: Experimental Determination of DHF (HOBr) and Ionization Potentials (HOBr): Implications for Coresponding Properties of HOI

Authors:
Ruščić, Branko (41865)
Berkowitz, J.
Journal: J. Chem. Phys.
ISSN: 0021-9606
Volume: 101
Year: 1994
Pages: from 7795 to 7803
Language: engleski

Title: The H-NCS Bond Energy, DHf (HNCS), DHf (NCS), and IP (ncs) from Photoinization Mass Spectrometric Studies of HNCS, NCS, and (NCS)2

Authors:
Ruščić, Branko (41865)
Berkowitz, J.
Journal: J. Chem. Phys.
ISSN: 0021-9606
Volume: 101
Year: 1994
Pages: from 7975 to 7989
Language: engleski

Title: Threshold Photoelectron Spectrum of HOBr

Authors:
Ruščić, Branko (41865)
Berkowitz, J.
Journal: J. Chem. Phys.
ISSN: 0021-9606
Volume: 101
Year: 1994
Pages: from 9215 to 9218
Language: engleski

Title: The Heats of Formation of Some C2H5O+ Isomers, Relevant Bond Energies in Ethanol and PA(CH3CHO)

Authors:
Ruščić, Branko (41865)
Berkowitz, J.
Journal: J. Chem. Phys.
ISSN: 0021-9606
Volume: 101
Year: 1994
Pages: from 10936 to 10946
Language: engleski

Title: Photionization of Atomic Bismuth

Authors:
Yoo, R. K.
Ruščić, Branko (41865)
Berkowitz, J.
Journal: J. Phys..B: At. Mol.Phys.
Volume: 28
Year: 1995
Pages: from 1743 to 1759
Language: engleski


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