Publications

2024

Gabriel Glotz, Manfred Drusgala, Florian Hamm, Roland C. Fischer, Nađa Došlić, Anne Marie Kelterer, Georg Gescheidt and Michael Haas Wavelength-dependent rearrangements of an α-dione chromophore Chemical Science 15, 4427-4433, 2024 , DOI
Luca Steiner, Andreas J. Achazi, Anne Marie Kelterer, Beate Paulus and Hans Ulrich Reissig Diastereoselective Dearomatizing Cyclizations of 5-Arylpentan-2-ones by Samarium Diiodide – A Computational Analysis Chemistry - a European Journal , 2024 , DOI

2023

Gabriel Glotz, Konstantin Knaipp, Martin S. Maier, Katharina Hüll, Alexander Novak, Anne Marie Kelterer, Thomas Griebenow, Rainer Herges, Dirk Trauner and Georg Gescheidt To Isomerize or not to Isomerize? E/Z Isomers of Cyclic Azobenzene Derivatives and Their Reactivity Upon One-Electron Reduction Chemistry - a European Journal 29, 2023 , DOI
Aileen Sauermoser, Thomas Lainer, Andreas Knoechl, Freskida Goni, Roland C. Fischer, Harald Fitzek, Martina Dienstleder, Christine Prietl, Anne Marie Kelterer, Christine Bandl, Georg Jakopic, Gerald Kothleitner and Michael Haas Fabrication of Amorphous Silicon-Carbon Hybrid Films Using Single-Source Precursors Inorganic Chemistry 62, 15490-15501, 2023 , DOI
Tanja Wiesner, Dmytro Neshchadin, Gabriel Glotz, Zeno Gfader, Erik Schrader, Samuel Christen, Roland C. Fischer, Anne Marie Kelterer, Georg Gescheidt, Hansjörg Grützmacher and Michael Haas Symmetrical and Mixed Tris(acyl)phosphines Chemistry - a European Journal 29, 2023 , DOI

2022

Thomas Lainer, Deepak Dange, Michael Pillinger, Roland C. Fischer, Anne Marie Kelterer, Cameron Jones and Michael Haas An NHC-Mediated Metal-Free Approach towards an NHC-Coordinated Endocyclic Disilene ChemistryOpen 11, 2022 , DOI
Tanja Wiesner, Gabriel Glotz, Odo Wunnicke, David Bleger, Ivana Knezevic, Ana Torvisco Gomez, Roland C. Fischer, Anne-Marie Kelterer, Georg Gescheidt-Demner and Michael Haas The Road to Bisacyldigermanes: A New Compound Class Suitable as Visible Light Photoinitiators ChemPhotoChem 6, 2022 , DOI
Sabrina D Püschmann, Philipp Frühwirt, Stefanie M Müller, Stefan H Wagner, Ana Torvisco, Roland C Fischer, Anne-Marie Kelterer, Thomas Griesser, Georg Gescheidt and Michael Haas Erratum Dalton Transactions 51, 2975, 2022 , DOI
Luca Steiner, Andreas J. Achazi, Bess Vlaisavljevich, Pere Miro, Beate Paulus and Anne Marie Kelterer Samarium Diiodide Acting on Acetone—Modeling Single Electron Transfer Energetics in Solution Molecules 27, 2022 , DOI
Dmytro Neshchadin, Anne-Marie Kelterer, Chantal Houée-Levin, Eduard Stadler, Martin Spichty and Georg Gescheidt Methionine-Based Radicals: Time Scales and Species Applied Magnetic Resonance 53, 1331-1343, 2022 , DOI

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2021

Aneta Buczek, Monika Stas, Christian Hebenstreit , Corina Maller, Malgorzata A. Broda, Teobald Kupka and Anne-Marie Kelterer Interaction of 5‐fluorouracil with β‐cyclodextrin: A density functional theory study with dispersion correction International Journal of Quantum Chemistry 121, 2021 , DOI
Manfred Drusgala, Philipp Frühwirt, Gabriel Glotz, Katharina Hogrefe, Ana Torvisco, Roland C. Fischer, H. Martin R. Wilkening, Anne Marie Kelterer, Georg Gescheidt and Michael Haas Isolable Geminal Bisgermenolates Angewandte Chemie - International Edition 60, 23646-23650, 2021 , DOI
Sabrina D. Püschmann, Philipp Frühwirt, Stefanie M. Müller, Stefan H. Wagner, Ana Torvisco, Roland C. Fischer, Anne Marie Kelterer, Thomas Griesser, Georg Gescheidt and Michael Haas Synthesis and characterization of diacylgermanes Dalton Transactions 50, 11965-11974, 2021 , DOI
Aneta Buczek, Malgorzata A. Broda, Teobald Kupka and Anne-Marie Kelterer Anharmonicity modeling in hydrogen bonded solvent dimers Journal of Molecular Liquids 339, 116735, 2021 , DOI
Janine Maier, Stefanie Monika Müller, Ana Torvisco Gomez, Gabriel Glotz, Roland C. Fischer, Thomas Griesser, Anne-Marie Kelterer and Michael Haas Isolable Stannenolates Enable the Synthesis of Visible-Light Photoinitiators ChemPhotoChem 2021, 2021 , DOI

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2020

Philipp Frühwirt, Alan Liska, Perry T. Wasdin, Anne-Marie Kelterer, Michael Haas, Jiri Ludvik and Georg Gescheidt-Demner The "Dark Side" of Germanium-​Based Photoinitiators-​Connecting Redox Properties and Optical Absorption Organometallics 39, 2257-2268, 2020 , DOI
Andreas Windischbacher, Luca Steiner, Ritesh Haldar, Christof Wöll, Egbert Zojer and Anne-Marie Kelterer Exciton Coupling and Conformational Changes Impacting the Excited State Properties of Metal Organic Frameworks Molecules 25, 2020 , DOI
Daria L. Melnikova, Zilya F. Badrieva, Mikhail A. Kostin, Corina Maller, Monika Stas, Aneta Buczek, Malgorzata A. Broda, Teobald Kupka, Anne-Marie Kelterer, Peter M. Tolstoy and Vladimir D. Skirda On Complex Formation between 5-Fluorouracil and β-Cyclodextrin in Solution and in the Solid State: IR Markers and Detection of Short-Lived Complexes by Diffusion NMR Molecules 25, 2020 , DOI
Philipp Frühwirt, Andreas Raphael Knöchl, Michael Pillinger, Stefanie Müller, Perry T. Wasdin, Roland Fischer, Judith Radebner, Ana Torvisco Gomez, Norbert Moszner, Anne-Marie Kelterer, Thomas Griesser, Georg Gescheidt-Demner and Michael Haas The Chemistry of Acylgermanes: Triacylgermenolates Represent Valuable Building Blocks for the Synthesis of a Variety of Germanium-​Based Photoinitiators Inorganic Chemistry 59, 15204-15217, 2020 , DOI

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2019

Eva Perlt, Sarah Berger, Barbara Kirchner and Anne-Marie Kelterer Anharmonicity of Vibrational Modes in Hydrogen Chloride-Water Mixtures Journal of Chemical Theory and Computation 15, 2535-2547, 2019 , DOI
Michael Ramek, Marijana Markovic, Ilina Mutapcic, Jelena Pejic, Anne-Marie Kelterer and Jasmina Sabolovic Conformational Analyses of Physiological Binary and Ternary Copper(II) Complexes with L-Asparagine and L-Histidine; Study of Tridentate Binding of Copper(II) in Aqueous Solution ChemistryOpen 2019, 852-868, 2019 , DOI
Max Schmallegger, Anna Eibel, Jan P. Menzel, Anne Marie Kelterer, Michal Zalibera, Christopher Barner-Kowollik, Hansjörg Grützmacher and Georg Gescheidt Unprecedented Bifunctional Chemistry of Bis(acyl)phosphane Oxides in Aqueous and Alcoholic Media Chemistry - a European Journal 25, 8982-8986, 2019 , DOI

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2018

Romina Brasca, Anne-Marie Kelterer, Marcel Maeder, Mirta R. Alcaráz and Maria J. Culzoni Quantum chemical computation-based strategy for alternating least squares initialization in multivariate curve resolution analysis of spectral-pH data Microchemical Journal 140, 183-188, 2018 , DOI
Andrea Lauer, Jan Steinkoenig, Philipp Jöckle, Anne-Marie Kelterer, Andreas-Neil Unterreiner and Christopher Barner-Kowollik Installing lactone chain termini during photoinduced polymerization Polymer Chemistry 9, 3336-3341, 2018 , DOI
Aaron D. Finke, Michal Zalibera, Daria Confortin, Anne-Marie Kelterer, Christian Mensing, Sophie Haberland, François Diederich and Georg Gescheidt-Demner Charge-Transfer Salts of 6,6-Dicyanopentafulvenes: From Topology to Charge Separation in Solution Chemistry - a European Journal 24, 13616-13623, 2018 , DOI
Jenna A. Hohl, Michael W. Harris, Nina Strasser, Anne Marie Kelterer and Richard J. Lavrich Competing Intramolecular Hydrogen Bond Strengths and Intermolecular Interactions in the 4-Aminobutanol-Water Complex The Journal of Physical Chemistry A 122, 8505-8510, 2018 , DOI

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2017

Eva Blasco, Yuuki Sugawara, Paul Lederhose, James P. Blinco, Anne-Marie Kelterer and Christopher Barner-Kowollik Understanding Reactivity Patterns in Light-Induced Nitrile Imine Mediated Tetrazole–Ene Cycloadditions ChemPhotoChem 1, 159 - 163, 2017 , DOI
David Fast, Andrea Lauer, Jan Philipp Menzel, Anne-Marie Kelterer, Georg Gescheidt-Demner and Christopher Barner-Kowollik Wavelength-Dependent Photochemistry of Oxime Ester Photoinitiators Macromolecules 50, 1815-1823, 2017 , DOI
Yu-Fang Lee, Anne-Marie Kelterer, Gergely Matisz, Sandor Kunsági-Máté, Chao-Yu Chung and Yuan-Pern Lee Infrared absorption of methanol-water clusters (CH3OH)n(H2O), n = 1-4, recorded with the VUV-ionization/IR-depletion technique The Journal of Chemical Physics 146, 144308-1 - 144308-15, 2017 , DOI
Anne-Marie Kelterer, Günter Grampp, Josua Bächle and Marijana Markovic Insights into the Hydrogen Atom Transfer of the Blue Aroxyl ChemPhysChem 18, 2932-2938, 2017 , DOI
Corinne Chappey, Kateryna Fatyeyeva, Edyta Rynkowska, Wojciech Kujawski, Larisa Karpenko-Jereb, Anne-Marie Kelterer and Stéphane Marais Sulfonic Membrane Sorption and Permeation Properties: Complementary Approaches to Select a Membrane for Pervaporation The Journal of Physical Chemistry B 121, 8523-8538, 2017 , DOI
Andrew S. Khalil, Anne-Marie Kelterer and Richard J. Lavrich Interplay of Intermolecular and Intramolecular Hydrogen Bonds on Complex Formation: The 3-Amino-propanol−Water van der Waals Complex The Journal of Physical Chemistry A 121, 6646-6651, 2017 , DOI

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2016

Larisa Karpenko-Jereb, Edyta Rynkowska, Wojciech Kujawski, Sarah Lunghammer, Joanna Kujawa, Stephane Marais, Kateryna Fatyeyeva, Corinne Chappey and Anne-Marie Kelterer Ab-initio study of cationic polymeric membranes in water and methanol Ionics 22, 357-367, 2016 , DOI
Edyta Rynkowska, Joanna Kujawa, Corinne Chappey, Kateryna Fatyeyeva, Larisa Karpenko-Jereb, Anne-Marie Kelterer, Stefan Marais and Wojciech Kujawski Effect of the polar-nonpolar liquid mixtures on pervaporative behaviour of perfluorinated sulfonic membranes in lithium form Journal of Membrane Science 518, 313-327, 2016 , DOI
David Fast, Michal Zalibera, Andrea Lauer, Anna Eibel, Caroline Schweigert, Anne-Marie Kelterer, Martin Spichty, Dmytro Neshchadin, Dominik Voll, Hanna Ernst, Yu Liang, Kurt Dietliker, Andreas-Neil Unterreiner, Christopher Barner-Kowollik, Hansjörg Grützmacher and Georg Gescheidt-Demner Bis(mesitoyl)phosphinic acid: photo-triggered release of metaphosphorous acid in solution Chemical Communications 52, 9917-9920, 2016 , DOI

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2015

Anne-Marie Kelterer, Georg Uray and Walter M. Fabian Rational design of long-wavelength absorbing and emitting carbostyrils aided by time-dependent density functional calculations Computational & theoretical chemistry 1055, 25-32, 2015 , DOI
Gergely Matisz, Anne-Marie Kelterer, Walter M. Fabian and Sandor Kunsági-Máté Structural properties of methanol–water binary mixtures within the quantum cluster equilibrium model Physical Chemistry, Chemical Physics 17, 8467-8479, 2015 , DOI
David Fast, Andrea Lauer, Anne-Marie Kelterer, Elena Frick, Dmytro Neshchadin, Dominik Voll, Georg Gescheidt-Demner and Christopher Barner-Kowollik Systematic Assessment of the Photochemical Stability of Photoinitiator-Derived Macromolecular Chain Termini Macromolecules 48, 8451-8460, 2015 , DOI

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2014

Anne-Marie Kelterer, Georg Uray and Walter M. Fabian Long wavelength absorbing carbostyrils as test cases for different TDDFT procedures and solvent models Journal of Molecular Modeling 20, 2217-5, 2014 , DOI
Larisa Karpenko-Jereb, Pamela Innerwinkler, Anne-Marie Kelterer, Christof Sternig, Clemens Fink, Reinhard Tatschl and Peter Prenninger A novel membrane transport model for polymer electrolyte fuel cell simulations International Journal of Hydrogen Energy 39, 7077-7088, 2014 , DOI
Anne-Marie Kelterer, Asim Mansha, Faiza Jan Iftikhar, Y. Zhang, W. Wang, Jian-Hua Xu and Günter Grampp Computational and experimental studies on the triplet states of various N-substituted 4,5,6,7-tetrachlorophthalimides Journal of Molecular Modeling 20, 2344-13, 2014 , DOI
Christof Holzer, Anna Wernbacher, Jan M. Senekowitsch, Karl Gatterer and Anne-Marie Kelterer A Theoretical Study on Trivalent Europium: From the Free Ion to the Water Complex The Journal of Physical Chemistry A 118, 11499-11511, 2014 , DOI

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2013

Larisa Karpenko-Jereb, Anne-Marie Kelterer, Ninel Berezina and Alexander Pimenov Conductometric and computational study of cationic polymer membranes in H+ and Na+ forms at various hydration levels Journal of Membrane Science 444, 127-138, 2013 , DOI
Romina Brasca, Marcelo A. Romero, Héctor C. Goicoechea, Anne-Marie Kelterer and Walter M. Fabian Spectroscopic behavior of loratidine and desloratidine in different aqueous media conditions studied by means of TD-DFT calculations Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy 115, 250-258, 2013 , DOI

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2012

Vladimir Lukes, Jan Rimarcik, Lenka Rottmanová, Kraiwan Punyain, Erik Klein and Anne-Marie Kelterer On the applicability of the molecular dynamics SCC-DFTB treatment on optical spectra for thiophene and phenyl containting oligomers Computational & theoretical chemistry 999, 55-65, 2012 , DOI
Lenka Rottmanová, Kraiwan Punyain, Jan Rimarcik, Vladimir Lukes, Erik Klein and Anne-Marie Kelterer Theoretical study of 2-phenylpyrrole molecule using various quantum-chemical approaches Acta chimica slovaca 5, 21-28, 2012 , DOI
Larisa Karpenko-Jereb, Pamela Innerwinkler, Anne-Marie Kelterer, Clemens Fink, Peter Prenninger and Reinhard Tatschl Development of the membrane transport model for PEMFC simulations Procedia Engineering 44, 388-390, 2012 , DOI

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2011

Jan Rimarcik, Kraiwan Punyain, Vladimir Lukes, Erik Klein, Dana Dvoranová, Anne-Marie Kelterer, Viktor Milata, Jozef Lietava and Vlasta Brezova Theoretical and Spectroscopic Study of Ethyl 1,4-Dihydro-4-Oxoquinoline-3-Carboxylate and its 6-Fluoro and 8-Nitro Derivatives in Neutral and Radical Anion Forms Journal of Molecular Structure 994, 61-69, 2011 , DOI
Gergely Matisz, Anne-Marie Kelterer, Walter M. Fabian and Sandor Kunsagi-Mate Coordination of methanol clusters to benzene: A computational study The Journal of Physical Chemistry A 115, 10556-10564, 2011 , DOI
Gergely Matisz, Anne-Marie Kelterer, Walter M. Fabian and Sandor Kunsagi-Mate Application of the Quantum Cluster Equilibrium (QCE) Model for the Liquid Phase of Primary Alcohols Using B3LYP and B3LYP-D DFT Methods The Journal of Physical Chemistry B 115, 3936-3941, 2011 , DOI
Kraiwan Punyain, Anne-Marie Kelterer and Günter Grampp Theoretical studies on the dimerization of substituted paraphenylenediamine radical cations Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy 83, 368-378, 2011 , DOI

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Contact Information
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Anne-Marie Kelterer

Institute of Physical and Theoretical Chemistry 
Graz University of Technology

Stremayrgasse 9/I
8010 Graz

email: kelterernoSpam@tugraz.at
phone: +43 316 873 32244
fax: +43 316 873 10 32244