Publications

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 (Washington, DC) / B 121, 8523-8538, 2017
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

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 58, 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
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

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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
Anne-Marie Kelterer, Asim Mansha, Faiza Jan Iftikhar, Y. Zhang, W. Wang, J.-H. 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
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

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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 / A 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

Kraiwan Punyain, Anne-Marie Kelterer and Günter Grampp Theoretical studies on the dimerization of substituted paraphenylenediamine radical cations Spectrochimica acta / A 83, 368-378, 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
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 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 (Washington, DC) / B 115, 3936-3941, 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

Office: Brockmanngasse 29/3.OG
Post address: Stremayrgasse 9/I
8010 Graz

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