Julkaisut Kemian laitos, Joensuun yliopisto
Publications Department of Chemistry, University of Joensuu
1991-1995

1991

Björkroth J-P, Pakkanen TA, Lindroos J, Pohjala E, Lauren L & Klemola T: Comparative molecular field analysis of some new bisphosphonate analogs. J. Med. Chem. 34 (1991) 2338.

Himottu M, Pihlaja K, Stájer G, Bernath G & Vainiotalo P: Mass spectrometric behaviour of some cycloalkane/ene-condenced 2-thioxoa-4-pyrimidinones and cycloalkane/ene-condenced [1,3]-thiazino[3,2-a]pyrimidinones under electron impact. Org. Mass Spectrom. 26 (1991) 493.

Hänninen K & Niemelä K: Alkaline degradation of peat humic acids. Part I. Identification of lipophilic products. Acta Chem. Scand. 45 (1991) 193.

Kiiski U, Venäläinen T, Pakkanen TA & Krause O: Catalysis of the water gas shift reaction by supported Ru3(CO)12 with 2,2'- bipyridine. J. Mol. Cat. 64 (1991) 163.

Morgenstern O, Richter P, Rouvinen J, Mälkönen P, Vainiotalo P, Hänninen K, Ahlgrén M & Vepsäläinen J: Studies on the reaction of 2-aminoacetophenone with thiophosgene. J. Heterocyclic Chem. 28 (1991) 1091-1097.

Narbe G, Lindequist U, Teuscher E, Franke P, Vainiotalo P & Basner R: Untersuchungen zur chemie immunsuppressiv wirksamer fraktionen aus Meripilus giganteus (PERS. ex. FR.) KARST., dem Riesenporling. Pharmazie 46 (1991) 738.

Pekonen P, Hiltunen Y, Laitinen RS & Pakkanen TA, Chalcogen ring interconversion pathways: The 77Se NMR spectroscopic characterization of 1,2,3,4,5-Se5S2 to 1,2,3,4-Se4S2 and 1,2,3,4,5,6-Se6S2. Inorg. Chem. 30 (1991) 3679.

Pihlaja K, Liukko-Sipi S, Fülöp F, Bernáth G & Vainiotalo P: Electron ionization fragmentations of some N-substituted 2-N-methylimino-4,5-tetra-methyleneperhydro-3,1-oxazines and related thiazines. Rapid Comm. Mass Spectrom. 5 (1991) 230.

Pitkänen I, Vainiotalo A & Vainiotalo P: Thermoanalytical studies on sodium 1,2-naphthoquinone oximesulfonates. Thermochim. Acta 175 (1991) 109.

Pursiainen J, Hirva P & Pakkanen TA: Studies on the disordered crystal structure of [RuCo3H(CO)12]. J.Organom. Chem. 419 (1991) 193.

Rossi S, Pursiainen J & Pakkanen TA: Tetranuclear butterfly cluster derivatives of SMe2. Preparation of Ru4(CO)13(SMe2), H2Ru4(CO)12(SMe2) and HRu3Co(CO)12(SMe2). Organometallics, 10 (1991) 1390.

Rossi S, Kallinen K, Pursiainen J, Pakkanen TT & Pakkanen TA: Dimethylsulfide derivatives of [Rh6(CO)16]. Crystal structures of [Rh6(CO)15(SMe2)] and [Rh6(CO)12(SMe2)4]. J. Organom. Chem. 419 (1991) 219.

Smolander K & M. Kauppinen: Direct Determination of Gold by D.C. Argon Plasma Emission Spectrometry Anal. Chim. Acta 248 (1991) 569-574.

Suontamo, R.J., Laitinen, R.S., & Pakkanen TA An Ab Initio MO Study of the pseudorotation in Cyclohexasulfur S6 and Cycloheptasulphur S7 Acta Chem. Scand. 45 (1991) 687.

A. Vainiotalo, Vainiotalo P, Vepsäläinen J & Pitkänen I: Studies on the complexation of sodium 1,2-naphthoquinone-2-monoxime-5-sulphonate with dioxouranium(VI) in aqueous solution. Eur. J. Solid State Inorg. Chem. 28 (1991) 275.

Vainiotalo P, Partanen T, Fülöp F, Bernath G & Pihlaja P Effects of N-substitution on the fragmentations of some cyclohexene fused 2-N-phenyliminoperhydro-3,1-oxazines and related thiazines. J. Am. Soc. Mass Spectrom. 2 (1991) 125.

Vainiotalo P, Ronkanen S, Stájer G, Bernáth G & Pihlaja P: Electron ionization mass spectra of some 4-phenyl-substituted cycloalkane-cis-fused 1,3-oxazin-2(3H)-ones, 2(3H)-thiones and 1,4-oxazepin-3(4H)-ones. J. Heterocyclic Chem. 28 (1991) 253.

Vainiotalo P, Savolainen P-L, Ahlgrén M, Mälkönen PJ & Vepsäläinen J: Identification of the condensation products of 1,2- and 1,3-amino alcohols with keto esters by NMR spectroscopy, mass spectrometry and X-ray crystallography studies. Open or ring forms? J. Chem. Soc. Perkin Trans. 2 (1991) 735-741.

Vainiotalo P, Fülöp F & Pihlaja P: Gas-phase ring-chain tautomerism in 1,3-oxazines. Does it exist? Org. Mass Spectrom. 26 (1991) 438.

Vainiotalo P, Julkunen-Tiitto R, Juntheikki M-R, Reichardt P & Auriola S: Chemical characteristics of herbivore-defenses in betula pendula winter-dormant young stems. J. Chromatogr. 547 (1991) 367.

Vainiotalo P, Ottoila P, Morgenstern O & Richter P: The fragmentation of differently substituted 2-amino-1,3,4-benzotriazepines. J. Heterocyclic Chem. 28 (1991) 1987.

1992

Alvila L, Pakkanen TA, Pakkanen TT & Krause O: Hydroformylation of olefins catalysed by rhodium and cobalt clusters supported on organic (Dowex) resins. J. Mol. Cat. 71 (1992) 281.

Alvila L, Pakkanen TA, Krause O & Pakkanen TT: Comparative study upon homogeneous catalytic activity of group 8-9 metal compounds in hydroformylation of 1-hexene. J. Mol. Cat. 73 (1992) 325.

Alvila L, Pakkanen TA, Pakkanen TT & Krause O: Catalytic hydroformylation of 1-hexene over Co2Rh2(CO)12 supported on inorganic carrier materials. J. Mol. Cat. 75 (1992) 333.

Björkroth, J-P, Pakkanen TA, Peräkylä M & Pohjala E: Quantum chemical study on the interaction of some bisphosphonates and Ca2+. The role of molecular electrostatic potentials in the prediction of binding geometry J. Comput. Aided Mol. Design. 6 (1992) 303.

Hirva P & Pakkanen TA: Modeling the interaction of amine bases on isolated and geminal hydroxsyl groups on silica. Surf. Sci. 271 (1992) 530.

Hirva P & Pakkanen TA: The interaction of amine bases on the Lewis acid sites of aluminium oxide - A theoretical Study. Surf. Sci. 277 (1992) 389.

Lindroos J, Peräkylä M, Pakkanen TA & Björkroth J-P: Model compounds for ab initio studies of receptor-ligand interactions. Part 1. Models for asparagine, glutamine, serine, threonine and tyrosine J. Chem. Soc. Perkin Trans 2. (1992) 2271-2277.

Morgenstern O, Richter PH & Vainiotalo P: Untersuchungen zur reaktivität von umsetzungsproducten des 2-isothio-cyanotoacetophenons. Pharmazie 47 (1992) 297.

Peräkylä M, Pakkanen TA, Björkroth J-P & Pohjala E: Ab initio studies on organophosphorus compounds. Part 1. Monoanionic methylphosphonate and methylphosphinate and their nitrogen and sulfur analogues J. Chem. Soc. Perkin Trans. 2 (1992) 1167.

Peräniemi S, Parkkinen J, Smolander K, Mustalahti H & Ahlgrén M: Determination of gold in ore samples by EDXRF after thiourea leaching and adsorption on activated charcoal. Fresenius J. Anal. Chem. 343 (1992) 292-296.

Peräniemi S, Vepsäläinen J, Mustalahti H & Ahlgrén M: Determination of phosphorus in waste water by EDXRF. Fresenius J. Anal. Chem. 344 (1992) 118-122.

Rossi S, Kallinen K, Pursiainen J, Pakkanen TT & Pakkanen TA: Reactions of cyclic thioethers with Ru3(CO)12. Synthesis, reactivity and solid state structures of [HRu3(CO)9(µ3-_3(C,S,S)1,3-dithiacyclohexane)], [Ru3(CO)9(µ3-_31,3,5-trithiacyclohexane)] and [Ru3(CO)9(µ2-_31,4,7-trithiaheptane)]. J. Organom. Chem. 440 (1992) 367.

Rossi S, Pursiainen J & Pakkanen TA: Reactions of 1,3,5, -trithiacyclohexane with tetrahedral ruthenium - cobalt clusters. J. Organom. Chem. 436 (1992) 55.

Smolander K, Macko M, Valko M & Melnik M: Spectral properties, crystal and molecular structure of tetrakis[µ-propionato]bis(nicotinamide)dicopper(II). Acta Chem. Scand. A ? (1992) 29-33.

Tóth K, Pakkanen TA, Hirva P & Muilu, J: Model calculations for the surfaces and chemisorption processes of Zn-chalcogenide thin Films by an ab initio cluster approach. Surf. Sci. 277 (1992) 395.

Vepsäläinen J, Nupponen H, Pohjala E, Ahlgrén M & Vainiotalo P: Bisphosphonic compounds. Part 3. Preparation and identification of tetraalkyl methylene- and (a-halomethylene)bisphosphonates by mass spectrometry, NMR spectroscopy and X-ray crystallography. J. Chem. Soc. Perkin 2 (1992) 835-842.

Vepsäläinen J, Pohjala E, Nupponen H, Vainiotalo P & Ahlgren M: Bisphoshonic compounds. IV. Preparation and identification of mixed tetraalkyl methylene- and (dichloromethylene)-bisphophonates by NMR spectroscopic, mass spectrometric and X-ray crystallographic studies. Phosp. Sulf. Sil. 70 (1992) 183-203.

Zeller L, Farrell J, Vainiotalo P & Kenttämaa HI: Long-lived radical cations of simple organophosphates isomerize spontaneously to distonic structures in the gas phase. J. Am. Chem. Soc. 114 (1992) 1205.

1993

Alvila, L., Pakkanen, T.A. & Krause, O., Hydroformylation of Olefins Catalysed by Supported Ru 3(CO)12 with 2,2' Bipyridine or with other Heterocyclic Nitrogen Base, J.Mol.Cat. 84 (1993) 145.

Himottu, M., Pihlaja, K., Stájer, G., Bernáth, G. & Vainiotalo, P., Electron Impact Induced Fragmentations of Some Quinazolinediones and Benzoxazinones, Rapid Commun. Mass Spectrom. 7 (1993) 374.

Iiskola, E., Pelkonen, A., Kakkonen, H.J., Ahlgrén., Pakkanen, T.A. & Pursiainen, J., m-Oxo-bis[trichloro(2,2-diisobutyl-1,3-dimethoxypropane-O,O')titanium-(IV), Acta Cryst. C49 (1993) 1607.

Iiskola, E., Pelkonen, A., Kakkonen, H. J., Pursiainen, J. & Pakkanen, T.A., A novel MgCl 2 supported Ziegler-Natta catalyst composition: Stereospecific polymerization of propene withoutMacromol. Chem., Rapid Comm. 14 (1993) 133.

Kakkonen, H.J., Pursiainen, J., Pakkanen, T.A., Ahlgrén, M. & Iiskola, E., TiCl 4 diester complexes: relationships between the crystal structures and properties of Ziegler-Natta catalysts, J. Organom. Chem. 453 (1993) 175.

Kunnas, A.V. & Jauhiainen, T.-P., Separation and Identification of Free Amino Acid Enantiomers in Peat by Capillary Gas Chromatography, J. Chromatogr. 628 (1993) 269.

Käkelä, R., Hyvärinen, H. & Vainiotalo, P., Fatty Acid Composition in Liver and Blubber of the Saimaa Ringed Seal ( Phoca hispida saimensis) Compared with that of the Ringed Seal ( Phoca hispida botnica) and Grey Seal (Halichoerus grypus ) from the Baltic, Comp. Biochem. Physiol. 105B (1993) 553.

Lindblad, M. & Pakkanen, T.A., Cluster Models for the Interaction of HCl with Non-polar Surfaces of g-Al2O3, Surf. Sci. 286 (1993) 333.

Mäki, E., Pihlaja, K., Huber, I., Fülöp, F., Bernáth G. & Vainiotalo, P. Electron Impact (EI) Ionization Mass Spectra of Some Substituted Dipyrido[1,2-a:4,3d]pyrimidinones, Org. Mass Spectrom. 28 (1993) 18.

Pakarinen, J.M.H., Vainiotalo, P., Pakkanen, T.A. & Kenttämaa, H.I., An Experimental and Theoretical Study of the Radical Cation of Hydroxyacetone, J. Am. Chem. Soc. 115 (1993) 12431.

Pakkanen, T.A. & Muilu, J., Ab Initio Molecular Orbital Calculations on Large Lattice Cluster Models: Use of Translational Symmetry, Theor. Chim. Acta. 86 (1993) 285.

Partanen, T., Vainiotalo, G., Stájer, G., Bernáth, G., Göndös, G. & Pihlaja, K., Mass Spectral Fragmentation of Some Steroisomeric Cyclic b-Amino Acids under Electron and Chemical Ionization, Rapid Commun. Mass Spectrom. 7 (1993) 1121.

Peräkylä, M. & Pakkanen, T.A., Ab Initio Models for Receptor-Ligand Interactions in Proteins. Part 2. Models for Aspartate, Glutamate and Lysine Ions, J. Chem. Res. (S) (1993) 296.

Peräkylä, M. & Pakkanen, T.A., Ab Initio Models for Receptor-Ligand Interactions in Proteins. -Hydroxybenzoate Hydroxylase, J. Am. Chem. Soc. 115 (1993) 10958.

Peräniemi, S., Smolander, K., Hakamäki, A., Mustalahti, H. & Karttunen, K., Determination of grammage of talc, gypsum and clay pigment layers in paper by EDXRF, Das Papier 3 (1993) 116.

Pihlaja, K., Sillanpää, R., Dahlqvist, M., Stájer, G. & Ahlgrén, M., Conformational Analysis 29: Preparation and 1H and 13C NMR, FTIR, MS, and Crystallographic Conformational and Configurational Study of 3-Oxo-1,3-oxathiane and Its Monomethyl Derivatives, Struct. Chem. 4 (1993) 203.

Pursiainen, J., Pakkanen, T.A., Ahlgrén, M. & Valkonen, J., Structures of the Monoclinic Form of Ph 3PAuRuRh3(CO)12 (I) and its Cubic Form with Ru3(CO) 12 (II), Acta Cryst. C49 (1993) 1142.

Pursiainen, J., Teppana, T., Rossi, S. & Pakkanen, T.A., Crystal Structures of Rh 2(CO)4(m-SPh)2 and Rh2(CO)4(m-SEt)2, Acta. Chem. Scand. 47 (1993) 416.

Rasinkangas, M., Pakkanen, T.T., Pakkanen, T.A., Ahlgrén, M. & Rouvinen, J., Multimetallic binding to fullerenes: C60{Ir2Cl2(1,5-COD)2}2. A novel coordination mode to fullerenes, J. Am. Chem. Soc. 115 (1993) 4901.

Rouvinen, J., Hoffrén, A.-M., Karjalainen, A. & Pakkanen, T.A., Modelling of a2 - adrenergic ligands, Drug Design & Discovery 10 (1993) 285.

Tóth, K. & Pakkanen, T.A., Model Calculations for the Surfaces and Chemisorption Processes of CdTe Thin Films by an Ab Initio Cluster Approach, J.Comput. Chem. 14 (1993) 667.

Törrönen, A., Rouvinen, J. Ahlgrén, M., Harkki, A. & Visuri, K., Crystallization and Preliminary X-ray Analysis of Two Major Xylanases from Trichoderma reesei, J. Mol. Biol. 233 (1993) 313.

Vainiotalo, P., Lehtelä, P.-L., Fülöp, F., Vuorilehto, L. & Pihlaja, K., Electronic Effects in the Electron Ionization Fragmentations of 2-Aryl Substituted Octahydro-1,3/3,1-Benzoxazines, Rapid Commun. Mass Spectrom. 7 (1993) 465.

Vainiotalo, P., Morgenstern, O. & Richter, P.H., N,N-Coupled M. Heterobicycles from Cyclic Hydrazine Derivatives. Part 6. Electron Ionization Mass Spectrometry of Some Substituted 1-Thiocarbamoyl and 1-Carbamoyl Pyrazolidines, J. Heterocycl. Chem., 30 (1993) 1641.

1994

Alvila, L., Pursiainen, J., Kiviaho, J., Pakkanen, T.A. & Krause, O. Ru3(CO)122,2'-bipyridine Supported on Inorganic Carriers as 1-hexene Hydroformylation Catalyst, J. Mol. Catal. 91 (1994) 335.

Braunstein, P., Rosé, J., Toussaint, D., Jääskeläinen, S., Ahlgrén, M., Pakkanen, T.A., Pursiainen, J., Toupet, L. & Grandjean, D. Site-Selective Substitution Reactions and Isomerizations in Tetrahedral MCo 3 Carbonyl Clusters (M=Fe, Ru) with N, P, S, and Te Donor Ligands. Crystal Structures of HRuCo3(CO)10(PMe 2Ph)2 and HRuCo3(CO)9(PMe2Ph)3, Organometallics 13 (1994) 2472.

Fülöp, F., Sillanpää, R., Dahlqvist, M., Pihlaja, K. & Vainiotalo, P. Ring-Chain Tautomerism and Crystal Structure of Some 1,3 -Oxazacyclanes, and Electrophilic Substituent Constants for Some Heteroaryl Groups in Solution and in the Gas Phase, Heterocycles 37 (1994) 1093.

Güther, R., Nieger, M., Rissanen, K. & Vögtle, F. Molekulare Pinzetten aus Cyclophan-Bausteinen, Chem. Ber. 127 (1994) 743.

Haukka, M. & Pakkanen, T.A. Preparation of the Supported Heterogenous Catalysts by Pulse-Impregnation: Application to Ru3(CO)12/2,2'-bipyridine/SiO2 catalyst, J. Catal. 148 (1994) 315.

Hirva, P., Venäläinen, T. & Pakkanen, T.A. Controlled Deposition from gas Phase of Surface Species on Amorphous Supports: Preparation of Ruthenium-Bipyridine Cataolysts for 1-Hexene Hydroformulation and Water-Gas Shift reaction, J. Catal. 148 (1994) 722.

Hukka, T.I., Pakkanen, T. & D'Evelyn, M.P. Chemisorption of Hydrogen on the Diamond (100)2x1 Surface: An Ab Initio Study, J. Phys. Chem. 47 (1994) 12420.

Huuskonen, J., Schulz, J., Kolehmainen, E. & Rissanen, K. Photoresponsive Piperazine Macrocycles, Chem. Ber. 127 (1994) 2267.

Kakkonen, H.J., Ahlgrén, M., Pakkanen, T.A. & Pursiainen, J. Structure of Ph 3PAuRuCo3(CO)11PMe2Ph*1/2CH2Cl2, Acta Cryst. C50 (1994) 528.

Kakkonen, H.J., Ahlgrén, M., Pakkanen, T.A. & Pursiainen, J. Synthesis and structural characterization of [N(PPh 3)2] [H2Ru3Rh(CO)12], J. Organom. Chem. 482 (1994) 279.

Kauppinen, M. & Smolander, K. Determination of rhodium in organic solutions by flame atomic absorption spectrometry with methyl isobutyl ketone and ethanol as solvents, Anal. Chim. Acta 285 (1994) 45.

Kauppinen, M. & Smolander, K. Determination of ruthenium in organic solutions by flame atomic absorption spectrometry with methyl isobutyl ketone and ethanol as solvents, Anal. Chim. Acta 285 (1994) 195.

Keskinen, K.M., Pakkanen, T.T., Raulo, P., Ruotsalainen, M., Sarv, P. & Tiitta, M. New Methods for Characterization of External Surface of ZSM-5-Zeolites, Stud. Surf. Sci. Catal. 84 (1994) 875.

Kurhinen, M., Venäläinen, T. & Pakkanen, T.A. Subcarbonyl Species of Molybdenum Hexacarbonyl Supported on Silica. A DRIFT Study, J. Phys. Chem. 98 (1994) 10237.

Leeck, D.T., Stirk, K.M., Zeller, L.C., Kiminkinen, L.M., Castro, L., Vainiotalo, P. & Kenttämaa, H.I. The Long-lived Radical Cations of Simple Carbon Esters Isomerized to the Lowest-Energy Structure, J. Am. Chem. Soc. 116 (1994) 3028.

Lehtelä, P.-L. Smolander, R. & Vainiotalo, P. Mass Spectrometric Behaviour of Simple Oxazolidines under Electron and Chemical Ionization, Org. Mass Spectrom. 29 (1994) 647.

Lehtelä, P.-L. & Vainiotalo, P. Unexpected Isotope Exchange Reactions of Oxazolidines under Ammonia Chemical Ionization, Org. Mass Spectrom. 29 (1994) 205.

Leinonen, A. & Vainiotalo, P. Chemical Ionization Mass Spectra of Simple 1,3-Dioxolanes and Their Sulfur Analogues Recorded with Methane, Isobutane, Ammonia and Acetone as Reagent Gas, Org. Mass Spectrom. 29 (1994) 295.

Luo, Z., Rouvinen, J. & Mäenpää, P. H. A peptide C-terminal to the second Zn finger of human vitamin D receptor is able to specify nuclear localization, Eur. J. Biochem. 223 (1994) 381.

Mannila, E., Kolehmainen, E. & Rissanen, K. Hydroxylated PCB Derivatives: Synthesis and Structure Elucidation by NMR and X-ray Diffraction, Acta Chem. Scand. 48 (1994) 684.

Mannila, E. & Rissanen, K. Crystal Structure of 2,3,3',4,5'-Pentachloro-biphenyl (PCB 108), Acta Chem. Scand. 48 (1994) 600.

Maran, U., Pakkanen, T.A. & Karelson, M. A Semiempirical Study of the Solvent Effect on the Menshutkin Reaction, J. Chem. Soc. Perkin Trans. 2 (1994) 2445.

Morgenstern, O., Ahlgrén, M., Vepsäläinen, J., Richter, P.H. & Vainiotalo, P. N,N-Coupled Heterobicycles from Cyclic Hydrazine Derivatives. Part 7. Investigations on the Synthesis and Structure of 1-(N1,N2-Alkylene Amidino)-Pyrazolidine Derivatives, J. Chem. Soc. Perkin Trans. 2 (1994) 2407.

Muilu, J. & Pakkanen, T.A. Ab initio models for ZnS surfaces: Influence of cluster size on surface properties. Part I. Two-dimensional models, Phys. Rev. B49 (1994) 11185.

Mäki, E., Csende, F., Stàjer, G., Vainiotalo, P. & Pihlaja, K. Mass Spectral Fragmentation of Some Isoindole Derivatives, Rapid Commun. Mass Spectrom. 8 (1994) 858.

Mäki, E., Stàjer, G., Csende, F., Vainiotalo, P. & Pihlaja, K. Mass Spectral Fragmenation of Some Cycloalkane-condensed 4,5 -Dihydro-3(2H)-pyridazinones and 4,5-Dihydro-6 H-1,2-oxazin-6-ones, Rapid Commun. Mass Spectrom. 8 (1994) 1021.

Nevalainen, T. & Rissanen, K. AM1 Study of the Conformational Properties and X-ray Structures of Chlorinated Diphenyl Ethers, J. Chem. Soc. Perkin Trans. 2 (1994) 271.

Partanen, T., Pykäläinen, M., Hulkkonen, H., Savolainen, O. & Vainiotalo, P. Stereochemical Differentiation of Isomeric Trinorbornane-2,3- and Trinorbornane-2,5-diols by Chemical Ionization Mass Spectrometry, J. Chem. Soc. Perkin Trans. 2 (1994) 1743.

Partanen, T., Vainiotalo, P., Stàjer, G., Bernáth, G. & Pihlaja, K. Electron and Chemical Ionization Mass Spectrometry in Stereochemical Differentiation of Some 1,3-Amino Alcohols, Org. Mass Spectrom. 29 (1994) 126.

Partanen, T., Vainiotalo, P., Stàjer, G. & Pihlaja, K. Electron Ionization Mass Spectra of Some Norbornane/ene-fused 2-N -Phenyliminoperhydro-1,3-oxazines, J. Heterocyclic Chem. 31 (1994) 893.

Peräkylä, M. & Pakkanen, T.A. Quantum Chemical Model Assembly Study on the Energetics of Binding of Arabinose, Fucose and Galactose to L-Arabinose-Binding Protein, Proteins 20 (1994) 367.

Peräniemi, S., Hannonen, S., Mustalahti, H. & Ahlgrén, M. Zirconium-loaded activated charcoal as an adsorbent for arsenic, selenium and mercury, Fresenius J. Anal. Chem. 349 (1994) 510.

Rasinkangas, M., Pakkanen, T.T. & Pakkanen, T.A. The First Ruthenium Carbonyl Derivative of Fullerene ( m2-C60) Ru(CO)4, J. Organom. Chem. 476 (1994) C6.

Rissanen, K., Breitenbach, & Huuskonen, J., Unusual Copper(I) Complex of a New Macrocyclic Ligand, J. Chem. Soc. Chem. Comm. (1994) 1265.

Räsänen, J.P., Peräkylä, M., Pohjala, E. & Pakkanen, T.A. Ab Initio Studies on Organophosphorous Compounds. Part 2. Monoanionic Methyl Methylphosphonate and Methyl Methylphosphinates and Their Sulfur Analogues, J. Chem. Soc. Perkin Trans. 2 (1994) 1055.

Räsänen, J.P., Peräkylä, M., Pohjala, E. & Pakkanen, T.A. Ab Initio Studies on Organophosphorous Compounds. Part 3. Cationic Calcium Binding to Phosphonate and Phosphinate monoanions and their Sulfur Analogues, J. Chem. Soc. Perkin Trans. 2 (1994) 2485.

Silvennoinen, R., Nygrén, K., Rouvinen, J. & Petrova, V. Bone structure studies with HNDT and X-ray diffraction methods, Opt. Eng. 33 (1994) 473.

Smolander, K., Ahlgrén, M., Melník, M., Skorsepa, J. & Györyova, K. Monomeric Dipropionato-KO-dithiourea-KS-zinc(II), Acta Cryst. C50 (1994) 1900.

Suontamo, R.J., Laitinen, R.S. & Pakkanen, T.A. Molecular Valence Calculations on Small Sulfur Clusters S 2 to S5, J. Mol. Struct. (THEOCHEM) 119 (1994) 189.

Tóth, K., Bopp, P., Peräkylä, M., Pakkanen, T.A. & Jancso, G. Ab initio Studies on Tetramethylurea and Tetramethylthiourea, J. Mol. Struct. (THEOCHEM) 312 (1994) 193.

Törrönen, A., Harkki, A. & Rouvinen, J. Crystallographic studies on endo-1,4- b-xylanase II from Trichoderma reesei: two conformational states in the active site, EMBO J. 13 (1994) 2493.

Vainiotalo, A., Vainiotalo, P. & Pitkänen, I. Thermoanalytical and Pyrolysis-MS Studies on Dioxouranium(VI) Complexes of Sodium 1,2-Naphtoquinone-1-Monoxime-7-Sulfonate, Thermochim. Acta 233 (1994) 269.

Vainiotalo, P., Kettunen, S., Pihlaja K. & Morris, D. Substituent Effects in the Mass Spectrometry of 4-Substituted Camphors Studied under Electron and Chemical Ionization, Rapid Commun. Mass Spectrom. 8 (1994) 876

1995

Airola K, Bartram S & Rissanen K: Helically chiral thia- and diselena-quinquephenylophanes, J. Chem. Soc. Perkin Trans. 1 (1995) 895-899.

Bauer M, Müller WM, Müller U, Rissanen K & Vögtle F, Azobenzene-Based Photoswitchable Catenanes, Liebigs Ann. (1995) 649-656.

Haukka M, Alvila L & Pakkanen TA: Catalytic activity of ruthenium 2,2'-bipyridine derived catalysts: 1-hexene hydroformulation and 1-heptenal hydrogenation, J. Mol. Catal. A102 (1995) 79-92.

Haukka M, Kiviaho J, Ahlgrén M & Pakkanen TA: Studies on Catalytically Active Ruthenium Carbonyl Bipyridine Systems. Synthesis and Structural Characterization of [Ru(bpy)(CO)2Cl 2], [Ru(bpy)(CO)2Cl(C(O)OCH3)], [Ru(bpy)(CO)2Cl2], and [Ru(bpy)(CO) 2ClH] (bpy = 2,2' Bipyridine), Organometallics 14 (1995) 825-833.

Haukka M, Venäläinen T, Ahlgrén M & Pakkanen TA: Reactions of [Ru(bpy)(CO) 2Cl2] in Acidic Media: Formation and Structural Characterization of [Ru(bpy)Cl 3(NO)], [Ru2N(bpy)2Cl5(H2O)], and (H5O2)[Ru2N(bpy)2 Cl6], Inorg. Chem. 34 (1995) 2931-2936.

Hukka TI, Pakkanen TA & D'Evelyn MP: Chemisorption of Fluorine, Chlorine, HF, and HCl on the Diamond (100)2X1 Surface: An ab Initio Study, J. Phys. Chem. 99 (1995) 4710-4719.

Huuskonen J & Rissanen K: Acetonitrile Inclusion Complexes of Piperazine-Based Macrocycles, Liebigs Ann. (1995) 1611-1615.

Huuskonen J, Shulz J & Rissanen K: Macrocyclic (1,3)- and (1,4)-Benzena-(1,4)-Piperazinacyclophanes, Liebigs Ann. (1995) 1515-1519.

Joutsiniemi K, Ahlgrén M, Vainiotalo P, Morgenstern O & Meusel M: Electron Ionization Mass Spectra and Crystal Structures of some [1,2,4]Triazolo[1,2-b]- and [1,3,4]Thiadiazolo[3,4- b]phtalazines, J. Heteroc. Chem. 32 (1995) 283-290.

Joutsiniemi K, Vainiotalo P, Lázár L, Fülöp F & Bernáth G: Electron Ionization Mass Spectra of Some Substituted Stereoisomeric 1,6,7,11b-Tetrahydro-2H,4H[1,3]oxazino[4,3-a]-isoquinolines and 1,6,7,11b-Tetrahydro-2 H[1,3]oxazino [4,3-a]-isoquinolin-4-ones, Rapid Commun. Mass Spectrom. 9 (1995) 998-1002.

Joutsiniemi K, Vainiotalo P, Pihlaja K, Lázár L, Fülöp F & Bernáth G: Electron Ionization Mass Spectrometry of Some Substituted Stereoisomeric, Partly Saturated 1,3- and 3,1-Benzoxazino-1,3-benzoxazines, Rapid Commun. Mass Spectrom. 9 (1995) 1035 -1037.

Jääskeläinen S, Pursiainen J & Pakkanen TA: Unusual mixed metal cluster reactions: formation of the mixed metal chain Rh2Ru3(CO)10(m-SEt)8, J. Organomet. Chem. 487 (1995) 197-200.

Kakkonen HJ, Ahlgrén M, Pursiainen J & Pakkanen TA: Reaction of the [H 2Ru3Rh(CO)12]- cluster anion with PPh3: synthesis and structural characterization of H2Ru3Rh2(CO)13 (PPh 3), J. Organom. Chem. 491 (1995) 195-201.

Kakkonen HJ, Tunkkari L, Ahlgrén M, Pursiainen J & Pak-kanen TA: Reaction of [H 2Ru3Rh(CO)12]- cluster anion with AuPPh3Cl and structural characterization of AuHRh 2Ru3(CO)13 (PPh3)2 by X-ray diffraction and 31P and 1H NMR spectroscopy, J. Organom. Chem. 496 (1995) 93-97.

Kallinen KO, Pakkanen TT & Pakkanen TA: Hydrogenation of 1-hexene by a triruthenium cluster stabilized with a face-capping 1,3 -dithiacyclohexane ligand, J. Mol. Catal. 99 (1995) 29-33.

Koskinen AMP, Hassila H, Myllymäki VT & Rissanen K: Stereocontrolled Conversion of L-Serine into a Series of Valuable Unnatural a-Amino Acids, Tetrahedron Lett. 36 (1995) 5619-5662.

Laatikainen R, Ratilainen J, Sebastian R & Santa H: NMR Study of Aromatic-Aromatic Interactions for Benzene and Some other Fundamental Aromatic Systems Using Alignment of Aromatics in Strong Magnetic Field, J. Am. Chem. Soc. 117 (1995) 11006-11010.

Lahtela M, Pakkanen, TA & Nissfolk F: Molecular Modeling of Poly- a-olefin Synthetic Oils, J. Phys. Chem. 99 (1995) 10267-10271.

Leeck DT, Ranatuga TD, Smith RL, Partanen T, Vainiotalo P & Kenttämaa HI: Differentiation of stereoisomeric diols by using CH3OB+OCH3 in a small Fourier transform ion cyclotron resonance mass spectrometer, Int. J. Mass Spectrom. Ion Process. 141 (1995) 229-240.

Leino RP, Luttikhedde HJG, Näsman JH, Ahlgrén M & Pakkanen T: Dispiro(fluorene-9,4'-[1,3]dithiolane-5',9''-fluorene), Acta Cryst. C51 (1995) 1593-1594.

Luttikhedde HJG, Leino RP, Näsman JH, Ahlgrén M & Pakkanen T: Racemic Dichloro-{(R,R)-3,3'-(dimethylsilanediyl) bis[(1,2,3,3a,72-h)-4,5,6,7-tetrahydro-1-indenyl]}zirconium, Acta Cryst. C51 (1995) 1488-1490.

Luttikhedde HJG, Leino RP, Näsman JH, Ahlgrén M & Pakkanen T: Synthesis and characterization of ansa-[1,1-bis(inden-1,1-diyl)-1-silacyclopentane] zirconium dichlorides. Crystal structures of meso- and racemic-[1,1-bis(inden-1,1-diyl)-1-silacyclopentane] -dichlorozirconium and racemic-[1,1-bis(4,5,6,7-tetrahydroinden-1,1-diyl)-1-sila-cyclopentane] dichlorozirconium, J. Organom. Chem. 486 (1995) 193-198.

Oinonen C, Tikkanen R, Rouvinen J & Peltonen L: Three-dimensional structure of human lysosomal aspartylglucosaminidase, Nature Struct. Biol. 2 (1995) 1102-1108.

Ondrejkovicová I, Melník M, Smolander K & Ahlgrén M: Synthesis and Structural Characterization of High-Spin cis-Bis(acetonitrile) Tetrakis(triphenylphosphineoxide)iron(II) Triiodide-Acetonitrile (1/1), Acta Chem. Scand. 49 (1995) 475-481.

Ottens-Hildebrandt S, Nieger M, Rissanen K, Rouvinen J, Meier S, Harder G, & Vögtle F: Amide-based Furano-Catenanes: Regioselective Template Synthesis and Crystal Structure, J. Chem. Soc. Chem. Comm. (1995) 777-778.

Peräkylä M & Pakkanen TA: Ab initio molecular orbital study on reactivity of phenol, biphenyl, benzoate and p-hydroxybenzoate in the ·OH addition reaction and stability of the corresponding ·H and ·OH cyclohexadienyl adducts, J. Chem. Soc. Perkin Trans. 2 (1995) 1405-1410.

Peräkylä M & Pakkanen TA: Model Assembly Study of the Ligand Binding by p-Hydroxybenzoate Hydroxylase: Correlation Between the Calculated Binding Energies and the Experimental Dissociation Constants, Proteins 21 (1995) 22-29.

Peräniemi S & Ahlgrén M: Optimized arsenic, selenium and mercury determination in aqueous solutions by energy dispersive x-ray fluoresence after preconcentration onto zirconium-loaded activated charcoal, Anal. Chim. Acta 302 (1995) 89-95.

Peräniemi S & Ahlgrén M: Separation of microgram quantities of Cr(III) and Cr(VI) in aqueous solutions and determination by energy dispersive X-ray fluorescence spectrometry, Anal. Chim. Acta 315 (1995) 365-370.

Puhakka E, Hirva P & Pakkanen TA: Molecular valence calculations for third row, main group elements (K-Kr), J. Mol. Struct. (Theochem) 333 (1995) 79-85.

Puhakka E, Pakkanen TT & Pakkanen TA: Theoretical investigation on Ziegler-Natta catalysis: models for the interactions of the TiCl4 catalyst and the MgCl2 support, Surf. Sci. 334 (1995) 289-294.

Pykäläinen M, Vainiotalo P, Lázár L, Fülöp F & Bernáth G: Tautomerism of Some Amino Diol and Amino Alchohol Derivatives in the Gas Phase, Rapid Commun. Mass Spectrom. 9 (1995) 916-920.

Skorsepa J, Györyovà K, Melník M, Smolander K & Ahlgrén M: Dimeric Bis( m-propionato-O:O')-bis[bis(nicotinamide-N)(propionato -O)zinc(II)], Acta Cryst. C51 (1995) 1069-1071.

Sleiman H, Baxter P, Lehn J-M & Rissanen K: Self-assembly of Rigid-rack Multimetallic Complexes of Rotaxane-type, J. Chem. Soc. Chem. Comm. (1995) 715-716.

Teppana T, Jääskeläinen S, Ahlgrén M, Pursiainen J & Pakkanen TA: Tetrahydrothiophene derivatives of metal carbonyl clusters, J. Organom. Chem. 486 (1995) 217-228.

Timonen J, Alvila L, Hirva P, Pakkanen TT, Gross D & Lehmann V: NMR imaging of aluminium oxide catalyst spheres, Appl. Catal. A Gen. 129 (1995) 117-123.

Turunen M, Peräniemi S, Ahlgrén M & Westerholm H: Determination of trace elements in heavy oil samples by graphite furnace and cold vapour atomic absorption spectrometry after acid digestion, Anal. Chim. Acta 311 (1995) 85-91.

Törrönen A & Rouvinen J: Structural comparison of two major endo-1,4-xylanases from Trichoderma reesei, Biochemistry 34 (1995) 847-856.

Vainiotalo A, Lehtelä P-L & Pitkänen I: Thermal behaviour and characterization of sodium 7-(hydroxyimino)-8-oxo-quinoline-5 -sulphonate and its bis-complex with dioxouranium(VI), J. All. Comp. 225 (1995) 316-319.

Vepsäläinen JJ, Kivikoski J, Ahlgrén M: Nupponen HE & Pohjala EK: An Improved Synthetic Method and the First Crystal Structures for (Dihalomethylene)bisphosphonate Partial Esters, Tetrahedron 51 (1995) 6805-6818.