Gabriel Glotz, Manfred Drusgala, Florian Hamm, Roland C. Fischer, Nađa Došlić, Anne Marie Kelterer, Georg Gescheidt and Michael HaasWavelength-dependent rearrangements of an α-dione chromophoreChemical Science15,
4427-4433,
2024 DOI: https://doi.org/10.1039/d4sc00064a
Luca Steiner, Andreas J. Achazi, Anne Marie Kelterer, Beate Paulus and Hans Ulrich ReissigDiastereoselective Dearomatizing Cyclizations of 5-Arylpentan-2-ones by Samarium Diiodide – A Computational AnalysisChemistry - a European Journal30,
2024 DOI: https://doi.org/10.1002/chem.202401120
Janine Maier, Reyhan Yagmur, Dominik Wickenhauser, Ana Torvisco Gomez, Anne-Marie Kelterer and Stefan SpirkElectrochemical Investigation of Symmetric AminoquinonesJournal of the Electrochemical Society2024,
116504,
2024 DOI: https://doi.org/10.1149/1945-7111/ad8f00
2023
Gabriel Glotz, Konstantin Knaipp, Martin S. Maier, Katharina Hüll, Alexander Novak, Anne Marie Kelterer, Thomas Griebenow, Rainer Herges, Dirk Trauner and Georg GescheidtTo Isomerize or not to Isomerize? E/Z Isomers of Cyclic Azobenzene Derivatives and Their Reactivity Upon One-Electron ReductionChemistry - a European Journal29,
2023 DOI: https://doi.org/10.1002/chem.202300146
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 HaasFabrication of Amorphous Silicon-Carbon Hybrid Films Using Single-Source PrecursorsInorganic Chemistry62,
15490-15501,
2023 DOI: https://doi.org/10.1021/acs.inorgchem.3c01846
Tanja Wiesner, Dmytro Neshchadin, Gabriel Glotz, Zeno Gfader, Erik Schrader, Samuel Christen, Roland C. Fischer, Anne Marie Kelterer, Georg Gescheidt, Hansjörg Grützmacher and Michael HaasSymmetrical and Mixed Tris(acyl)phosphinesChemistry - a European Journal29,
2023 DOI: https://doi.org/10.1002/chem.202302535
2022
Thomas Lainer, Deepak Dange, Michael Pillinger, Roland C. Fischer, Anne Marie Kelterer, Cameron Jones and Michael HaasAn NHC-Mediated Metal-Free Approach towards an NHC-Coordinated Endocyclic DisileneChemistryOpen11,
2022 DOI: https://doi.org/10.1002/open.202100240
Tanja Wiesner, Gabriel Glotz, Odo Wunnicke, David Bleger, Ivana Knezevic, Ana Torvisco Gomez, Roland C. Fischer, Anne-Marie Kelterer, Georg Gescheidt-Demner and Michael HaasThe Road to Bisacyldigermanes: A New Compound Class Suitable as Visible Light PhotoinitiatorsChemPhotoChem6,
2022 DOI: https://doi.org/10.1002/cptc.202200107
Luca Steiner, Andreas J. Achazi, Bess Vlaisavljevich, Pere Miro, Beate Paulus and Anne Marie KeltererSamarium Diiodide Acting on Acetone—Modeling Single Electron Transfer Energetics in SolutionMolecules27,
2022 DOI: https://doi.org/10.3390/molecules27248673
Dmytro Neshchadin, Anne-Marie Kelterer, Chantal Houée-Levin, Eduard Stadler, Martin Spichty and Georg GescheidtMethionine-Based Radicals: Time Scales and SpeciesApplied Magnetic Resonance53,
1331-1343,
2022 DOI: https://doi.org/10.1007/s00723-022-01469-9
Aneta Buczek, Monika Stas, Christian Hebenstreit , Corina Maller, Malgorzata A. Broda, Teobald Kupka and Anne-Marie KeltererInteraction of 5‐fluorouracil with β‐cyclodextrin: A density functional theory study with dispersion correctionInternational Journal of Quantum Chemistry121,
2021 DOI: https://doi.org/10.1002/qua.26487
Manfred Drusgala, Philipp Frühwirt, Gabriel Glotz, Katharina Hogrefe, Ana Torvisco, Roland C. Fischer, H. Martin R. Wilkening, Anne Marie Kelterer, Georg Gescheidt and Michael HaasIsolable Geminal BisgermenolatesAngewandte Chemie - International Edition60,
23646-23650,
2021 DOI: https://doi.org/10.1002/anie.202111636
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 HaasSynthesis and characterization of diacylgermanesDalton Transactions50,
11965-11974,
2021 DOI: https://doi.org/10.1039/d1dt02091a
Aneta Buczek, Malgorzata A. Broda, Teobald Kupka and Anne-Marie KeltererAnharmonicity modeling in hydrogen bonded solvent dimersJournal of Molecular Liquids339,
116735,
2021 DOI: https://doi.org/10.1016/j.molliq.2021.116735
Janine Maier, Stefanie Monika Müller, Ana Torvisco Gomez, Gabriel Glotz, Roland C. Fischer, Thomas Griesser, Anne-Marie Kelterer and Michael HaasIsolable Stannenolates Enable the Synthesis of Visible-Light PhotoinitiatorsChemPhotoChem2021,
2021 DOI: https://doi.org/doi.org/10.1002/cptc.202100213
Philipp Frühwirt, Alan Liska, Perry T. Wasdin, Anne-Marie Kelterer, Michael Haas, Jiri Ludvik and Georg Gescheidt-DemnerThe "Dark Side" of Germanium-Based Photoinitiators-Connecting Redox Properties and Optical AbsorptionOrganometallics39,
2257-2268,
2020 DOI: https://doi.org/10.1021/acs.organomet.0c00219
Andreas Windischbacher, Luca Steiner, Ritesh Haldar, Christof Wöll, Egbert Zojer and Anne-Marie KeltererExciton Coupling and Conformational Changes Impacting the Excited State Properties of Metal Organic FrameworksMolecules25,
2020 DOI: https://doi.org/10.3390/molecules25184230
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. SkirdaOn 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 NMRMolecules25,
2020 DOI: https://doi.org/10.3390/molecules25235706
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 HaasThe Chemistry of Acylgermanes: Triacylgermenolates Represent Valuable Building Blocks for the Synthesis of a Variety of Germanium-Based PhotoinitiatorsInorganic Chemistry59,
15204-15217,
2020 DOI: https://doi.org/10.1021/acs.inorgchem.0c02181
Eva Perlt, Sarah Berger, Barbara Kirchner and Anne-Marie KeltererAnharmonicity of Vibrational Modes in Hydrogen Chloride-Water MixturesJournal of Chemical Theory and Computation15,
2535-2547,
2019 DOI: https://doi.org/10.1021/acs.jctc.8b01070
Michael Ramek, Marijana Markovic, Ilina Mutapcic, Jelena Pejic, Anne-Marie Kelterer and Jasmina SabolovicConformational Analyses of Physiological Binary and Ternary Copper(II) Complexes with L-Asparagine and L-Histidine; Study of Tridentate Binding of Copper(II) in Aqueous SolutionChemistryOpen2019,
852-868,
2019 DOI: https://doi.org/10.1002/open.201900159
Max Schmallegger, Anna Eibel, Jan P. Menzel, Anne Marie Kelterer, Michal Zalibera, Christopher Barner-Kowollik, Hansjörg Grützmacher and Georg GescheidtUnprecedented Bifunctional Chemistry of Bis(acyl)phosphane Oxides in Aqueous and Alcoholic MediaChemistry - a European Journal25,
8982-8986,
2019 DOI: https://doi.org/10.1002/chem.201900935
Romina Brasca, Anne-Marie Kelterer, Marcel Maeder, Mirta R. Alcaráz and Maria J. CulzoniQuantum chemical computation-based strategy for alternating least squares initialization in multivariate curve resolution analysis of spectral-pH dataMicrochemical Journal140,
183-188,
2018 DOI: https://doi.org/10.1016/j.microc.2018.04.022
Andrea Lauer, Jan Steinkoenig, Philipp Jöckle, Anne-Marie Kelterer, Andreas-Neil Unterreiner and Christopher Barner-KowollikInstalling lactone chain termini during photoinduced polymerizationPolymer Chemistry9,
3336-3341,
2018 DOI: https://doi.org/10.1039/c8py00457a
Aaron D. Finke, Michal Zalibera, Daria Confortin, Anne-Marie Kelterer, Christian Mensing, Sophie Haberland, François Diederich and Georg Gescheidt-DemnerCharge-Transfer Salts of 6,6-Dicyanopentafulvenes: From Topology to Charge Separation in SolutionChemistry - a European Journal24,
13616-13623,
2018 DOI: https://doi.org/10.1002/chem.201802486
Jenna A. Hohl, Michael W. Harris, Nina Strasser, Anne Marie Kelterer and Richard J. LavrichCompeting Intramolecular Hydrogen Bond Strengths and Intermolecular Interactions in the 4-Aminobutanol-Water ComplexThe Journal of Physical Chemistry A122,
8505-8510,
2018 DOI: https://doi.org/10.1021/acs.jpca.8b05888
Eva Blasco, Yuuki Sugawara, Paul Lederhose, James P. Blinco, Anne-Marie Kelterer and Christopher Barner-KowollikUnderstanding Reactivity Patterns in Light-Induced Nitrile Imine Mediated Tetrazole–Ene CycloadditionsChemPhotoChem1,
159 - 163,
2017 DOI: https://doi.org/10.1002/cptc.201600042
David Fast, Andrea Lauer, Jan Philipp Menzel, Anne-Marie Kelterer, Georg Gescheidt-Demner and Christopher Barner-KowollikWavelength-Dependent Photochemistry of Oxime Ester PhotoinitiatorsMacromolecules50,
1815-1823,
2017 DOI: https://doi.org/10.1021/acs.macromol.7b00089
Yu-Fang Lee, Anne-Marie Kelterer, Gergely Matisz, Sandor Kunsági-Máté, Chao-Yu Chung and Yuan-Pern LeeInfrared absorption of methanol-water clusters (CH3OH)n(H2O), n = 1-4, recorded with the VUV-ionization/IR-depletion techniqueThe Journal of Chemical Physics146,
144308-1 - 144308-15,
2017 DOI: https://doi.org/10.1063/1.4979558
Anne-Marie Kelterer, Günter Grampp, Josua Bächle and Marijana MarkovicInsights into the Hydrogen Atom Transfer of the Blue AroxylChemPhysChem18,
2932-2938,
2017 DOI: https://doi.org/10.1002/cphc.201700603
Corinne Chappey, Kateryna Fatyeyeva, Edyta Rynkowska, Wojciech Kujawski, Larisa Karpenko-Jereb, Anne-Marie Kelterer and Stéphane MaraisSulfonic Membrane Sorption and Permeation Properties: Complementary Approaches to Select a Membrane for PervaporationThe Journal of Physical Chemistry B121,
8523-8538,
2017 DOI: https://doi.org/10.1021/acs.jpcb.7b06305
Andrew S. Khalil, Anne-Marie Kelterer and Richard J. LavrichInterplay of Intermolecular and Intramolecular Hydrogen Bonds on Complex Formation: The 3-Amino-propanol−Water van der Waals ComplexThe Journal of Physical Chemistry A121,
6646-6651,
2017 DOI: https://doi.org/10.1021/acs.jpca.7b05745
Larisa Karpenko-Jereb, Edyta Rynkowska, Wojciech Kujawski, Sarah Lunghammer, Joanna Kujawa, Stephane Marais, Kateryna Fatyeyeva, Corinne Chappey and Anne-Marie KeltererAb-initio study of cationic polymeric membranes in water and methanolIonics22,
357-367,
2016 DOI: https://doi.org/10.1007/s11581-015-1551-7
Edyta Rynkowska, Joanna Kujawa, Corinne Chappey, Kateryna Fatyeyeva, Larisa Karpenko-Jereb, Anne-Marie Kelterer, Stefan Marais and Wojciech KujawskiEffect of the polar-nonpolar liquid mixtures on pervaporative behaviour of perfluorinated sulfonic membranes in lithium formJournal of Membrane Science518,
313-327,
2016 DOI: https://doi.org/10.1016/j.memsci.2016.07.008
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-DemnerBis(mesitoyl)phosphinic acid: photo-triggered release of metaphosphorous acid in solutionChemical Communications52,
9917-9920,
2016 DOI: https://doi.org/10.1039/C6CC05219C
Anne-Marie Kelterer, Georg Uray and Walter M. FabianRational design of long-wavelength absorbing and emitting carbostyrils aided by time-dependent density functional calculationsComputational & theoretical chemistry1055,
25-32,
2015 DOI: https://doi.org/10.1016/j.comptc.2014.12.006
Gergely Matisz, Anne-Marie Kelterer, Walter M. Fabian and Sandor Kunsági-MátéStructural properties of methanol–water binary mixtures within the quantum cluster equilibrium modelPhysical Chemistry, Chemical Physics17,
8467-8479,
2015 DOI: https://doi.org/10.1039/c4cp05836d
David Fast, Andrea Lauer, Anne-Marie Kelterer, Elena Frick, Dmytro Neshchadin, Dominik Voll, Georg Gescheidt-Demner and Christopher Barner-KowollikSystematic Assessment of the Photochemical Stability of Photoinitiator-Derived Macromolecular Chain TerminiMacromolecules48,
8451-8460,
2015 DOI: https://doi.org/10.1021/acs.macromol.5b02127
Anne-Marie Kelterer, Georg Uray and Walter M. FabianLong wavelength absorbing carbostyrils as test cases for different TDDFT procedures and solvent modelsJournal of Molecular Modeling20,
2217-5,
2014 DOI: https://doi.org/10.1007/s00894-014-2217-5
Larisa Karpenko-Jereb, Pamela Innerwinkler, Anne-Marie Kelterer, Christof Sternig, Clemens Fink, Reinhard Tatschl and Peter PrenningerA novel membrane transport model for polymer electrolyte fuel cell simulationsInternational Journal of Hydrogen Energy39,
7077-7088,
2014 DOI: https://doi.org/10.1016/j.ijhydene.2014.02.083
Anne-Marie Kelterer, Asim Mansha, Faiza Jan Iftikhar, Y. Zhang, W. Wang, Jian-Hua Xu and Günter GramppComputational and experimental studies on the triplet states of various N-substituted 4,5,6,7-tetrachlorophthalimidesJournal of Molecular Modeling20,
2344-13,
2014 DOI: https://doi.org/10.1007/s00894-014-2344-z
Christof Holzer, Anna Wernbacher, Jan M. Senekowitsch, Karl Gatterer and Anne-Marie KeltererA Theoretical Study on Trivalent Europium: From the Free Ion to the Water ComplexThe Journal of Physical Chemistry A118,
11499-11511,
2014 DOI: https://doi.org/10.1021/jp509253e
Larisa Karpenko-Jereb, Anne-Marie Kelterer, Ninel Berezina and Alexander PimenovConductometric and computational study of cationic polymer membranes in H+ and Na+ forms at various hydration levelsJournal of Membrane Science444,
127-138,
2013 DOI: https://doi.org/10.1016/j.memsci.2013.05.012
Romina Brasca, Marcelo A. Romero, Héctor C. Goicoechea, Anne-Marie Kelterer and Walter M. FabianSpectroscopic behavior of loratidine and desloratidine in different aqueous media conditions studied by means of TD-DFT calculationsSpectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy115,
250-258,
2013 DOI: https://doi.org/10.1016/j.saa.2013.06.037
Vladimir Lukes, Jan Rimarcik, Lenka Rottmanová, Kraiwan Punyain, Erik Klein and Anne-Marie KeltererOn the applicability of the molecular dynamics SCC-DFTB treatment on optical spectra for thiophene and phenyl containting oligomersComputational & theoretical chemistry999,
55-65,
2012 DOI: https://doi.org/10.1016/j.comptc.2012.08.014
Lenka Rottmanová, Kraiwan Punyain, Jan Rimarcik, Vladimir Lukes, Erik Klein and Anne-Marie KeltererTheoretical study of 2-phenylpyrrole molecule using various quantum-chemical approachesActa chimica slovaca5,
21-28,
2012 DOI: https://doi.org/10.2478/v10188-012-0004-4
Larisa Karpenko-Jereb, Pamela Innerwinkler, Anne-Marie Kelterer, Clemens Fink, Peter Prenninger and Reinhard TatschlDevelopment of the membrane transport model for PEMFC simulationsProcedia Engineering 44,
388-390,
2012 DOI: https://doi.org/10.1016/j.proeng.2012.08.426
Jan Rimarcik, Kraiwan Punyain, Vladimir Lukes, Erik Klein, Dana Dvoranová, Anne-Marie Kelterer, Viktor Milata, Jozef Lietava and Vlasta BrezovaTheoretical 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 FormsJournal of Molecular Structure 994,
61-69,
2011 DOI: https://doi.org/10.1016/j.molstruc.2011.02.055
Gergely Matisz, Anne-Marie Kelterer, Walter M. Fabian and Sandor Kunsagi-MateCoordination of methanol clusters to benzene: A computational studyThe Journal of Physical Chemistry A115,
10556-10564,
2011 DOI: https://doi.org/10.1021/jp206248w
Gergely Matisz, Anne-Marie Kelterer, Walter M. Fabian and Sandor Kunsagi-MateApplication of the Quantum Cluster Equilibrium (QCE) Model for the Liquid Phase of Primary Alcohols Using B3LYP and B3LYP-D DFT MethodsThe Journal of Physical Chemistry B115,
3936-3941,
2011 DOI: https://doi.org/10.1021/jp109950h
Kraiwan Punyain, Anne-Marie Kelterer and Günter GramppTheoretical studies on the dimerization of substituted paraphenylenediamine radical cationsSpectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy83,
368-378,
2011 DOI: https://doi.org/doi:10.1016/j.saa.2011.08.048
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