Anne-Marie Kelterer

Ao.Univ.-Prof. Dipl.-Ing. Dr.techn.

1991 …2019
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Research Output 1991 2019

2019

Anharmonicity of Vibrational Modes in Hydrogen Chloride-Water Mixtures

Perlt, E., Berger, S., Kirchner, B. & Kelterer, A-M., 2019, In : Journal of chemical theory and computation. 15, 4, p. 2535-2547 13 p.

Research output: Contribution to journalArticleResearchpeer-review

Molecular vibrations
hydrogen chlorides
Hydrochloric Acid
vibration mode
Morse potential

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

Ramek, M., Markovic, M., Mutapcic, I., Pejic, J., Kelterer, A-M. & Sabolovic, J., 4 Jul 2019, In : ChemistryOpen. 2019, 8, p. 852-868

Research output: Contribution to journalArticleResearchpeer-review

Open Access
2018

Charge-Transfer Salts of 6,6-Dicyanopentafulvenes: From Topology to Charge Separation in Solution

Finke, A. D., Zalibera, M., Confortin, D., Kelterer, A-M., Mensing, C., Haberland, S., Diederich, F. & Gescheidt-Demner, G., 2018, In : Chemistry - A European Journal. 24, 51, p. 13616-13623

Research output: Contribution to journalArticleResearchpeer-review

Competing Intramolecular Hydrogen Bond Strengths and Intermolecular Interactions in the 4-Aminobutanol-Water Complex

Hohl, J. A., Harris, M. W., Strasser, N., Kelterer, A-M. & Lavrich, R. J., 2018, In : The journal of physical chemistry (Washington, DC) / A. 122, 43, p. 8505-8510

Research output: Contribution to journalArticleResearchpeer-review

Installing lactone chain termini during photoinduced polymerization

Lauer, A., Steinkoenig, J., Jöckle, P., Kelterer, A-M., Unterreiner, A-N. & Barner-Kowollik, C., 28 Jun 2018, In : Polymer Chemistry. 9, 24, p. 3336-3341 6 p.

Research output: Contribution to journalArticleResearchpeer-review

Quantum chemical computation-based strategy for alternating least squares initialization in multivariate curve resolution analysis of spectral-pH data

Brasca, R., Kelterer, A-M., Maeder, M., Alcaráz, M. R. & Culzoni, M. J., 18 Apr 2018, In : Microchemical journal. 140, p. 183-188

Research output: Contribution to journalArticleResearchpeer-review

2017

Infrared absorption of methanol-water clusters (CH3OH)n(H2O), n = 1-4, recorded with the VUV-ionization/IR-depletion technique

Lee, Y-F., Kelterer, A-M., Matisz, G., Kunsági-Máté, S., Chung, C-Y. & Lee, Y-P., 12 Apr 2017, In : The journal of chemical physics. 146, p. 144308-1 - 144308-15

Research output: Contribution to journalArticleResearchpeer-review

Open Access

Insights into the Hydrogen Atom Transfer of the Blue Aroxyl

Kelterer, A-M., Grampp, G., Bächle, J. & Markovic, M., 30 Aug 2017, In : ChemPhysChem. 18, p. 2932-2938 7 p.

Research output: Contribution to journalArticleResearchpeer-review

Interplay of Intermolecular and Intramolecular Hydrogen Bonds on Complex Formation: The 3-Amino-propanol−Water van der Waals Complex

Khalil, A. S., Kelterer, A-M. & Lavrich, R. J., 10 Aug 2017, In : The journal of physical chemistry (Washington, DC) / A. 121, p. 6646-6651

Research output: Contribution to journalArticleResearchpeer-review

Sulfonic Membrane Sorption and Permeation Properties: Complementary Approaches to Select a Membrane for Pervaporation

Chappey, C., Fatyeyeva, K., Rynkowska, E., Kujawski, W., Karpenko-Jereb, L., Kelterer, A-M. & Marais, S., 9 Aug 2017, In : The journal of physical chemistry (Washington, DC) / B. 121, p. 8523-8538 16 p.

Research output: Contribution to journalArticleResearchpeer-review

Open Access
File

Understanding Reactivity Patterns in Light-Induced Nitrile Imine Mediated Tetrazole–Ene Cycloadditions

Blasco, E., Sugawara, Y., Lederhose, P., Blinco, J. P., Kelterer, A-M. & Barner-Kowollik, C., 25 Jan 2017, In : ChemPhotoChem. 1, p. 159 - 163

Research output: Contribution to journalArticleResearchpeer-review

Wavelength-Dependent Photochemistry of Oxime Ester Photoinitiators

Fast, D., Lauer, A., Menzel, J. P., Kelterer, A-M., Gescheidt-Demner, G. & Barner-Kowollik, C., 2 Mar 2017, In : Macromolecules. 50, 5, p. 1815-1823 8 p.

Research output: Contribution to journalArticleResearchpeer-review

2016

Ab-initio study of cationic polymeric membranes in water and methanol

Karpenko-Jereb, L., Rynkowska, E., Kujawski, W., Lunghammer, S., Kujawa, J., Marais, S., Fatyeyeva, K., Chappey, C. & Kelterer, A-M., 2016, In : Ionics. 22, p. 357-367

Research output: Contribution to journalArticleResearchpeer-review

Open Access
File

Bis(mesitoyl)phosphinic acid: photo-triggered release of metaphosphorous acid in solution

Fast, D., Zalibera, M., Lauer, A., Eibel, A., Schweigert, C., Kelterer, A-M., Spichty, M., Neshchadin, D., Voll, D., Ernst, H., Liang, Y., Dietliker, K., Unterreiner, A-N., Barner-Kowollik, C., Grützmacher, H. & Gescheidt-Demner, G., 2 Aug 2016, In : Chemical Communications. 52, 64, p. 9917-9920

Research output: Contribution to journalArticleResearchpeer-review

Computational Design of Effective Chromophores

Kelterer, A-M., 17 Jun 2016.

Research output: Contribution to conference(Old data) Lecture or PresentationResearch

Effect of counter-ions on the water state in the polymer electrolytes: computational study

Karpenko-Jereb, L., Rynkowska, E., Kelterer, A-M. & Kujawski, W., 27 May 2016, Ion Transport in Organic and Inorganic Membranes. Russia, Krasnodar: BestPrint, p. 130-132 3 p.

Research output: Chapter in Book/Report/Conference proceedingConference contributionResearchpeer-review

Effect of the polar-nonpolar liquid mixtures on pervaporative behaviour of perfluorinated sulfonic membranes in lithium form

Rynkowska, E., Kujawa, J., Chappey, C., Fatyeyeva, K., Karpenko-Jereb, L., Kelterer, A-M., Marais, S. & Kujawski, W., 6 Jul 2016, In : Journal of membrane science. 58, p. 313-327 15 p.

Research output: Contribution to journalArticleResearchpeer-review

Open Access
File
Lithium
lithium
membranes
Membranes
Ions
2015

A quantum cluster equilibrium study on the binary mixture water-methanol

Kelterer, A-M., Matisz, G., Kunsági-Máté, S. & Fabian, W. M., 2015.

Research output: Contribution to conferencePosterResearch

Computational Design of Long-Wavelength Absorbing and Emitting Carbostyrils

Kelterer, A-M., Fabian, W. M. & Uray, G., 2015, Proceedings of the 18th Int. Electron. Conf. Synth. Org. Chem.. ., Vol. 18. p. e011-1-e011-6

Research output: Chapter in Book/Report/Conference proceedingConference contributionResearch

Computational Spectroscopy: a Quantum Chemical Description of the Proton Transfer in Water for Small Photoacidic Benchmark Molecules

Manuel Strauss, N. V., Theiler, A., Burnic, S., Brasca, R., Culzoni, M. J. & Kelterer, A-M., 2015.

Research output: Contribution to conferencePosterResearch

Influence of End Group Structure on the UV-Stability of Photoinitiated Poly(methyl methacrylate)

Fast, D., Lauer, A., Voll, D., Kelterer, A-M., Gescheidt-Demner, G. & Barner-Kowollik, C., 2015.

Research output: Contribution to conferencePosterResearch

Influence of End Group Structure on the UV-Stability of Photoinitiated Poly(methyl methacrylate)

Fast, D., Lauer, A., Voll, D., Kelterer, A-M., Gescheidt-Demner, G. & Barner-Kowollik, C., 8 Jun 2015.

Research output: Contribution to conference(Old data) Lecture or PresentationResearch

Rational design of long-wavelength absorbing and emitting carbostyrils aided by time-dependent density functional calculations

Kelterer, A-M., Uray, G. & Fabian, W. M., 2015, In : Computational & theoretical chemistry. 1055, p. 25-32

Research output: Contribution to journalArticleResearchpeer-review

Structural properties of methanol–water binary mixtures within the quantum cluster equilibrium model

Matisz, G., Kelterer, A-M., Fabian, W. M. & Kunsági-Máté, S., 2015, In : Physical chemistry, chemical physics. 17, p. 8467-8479

Research output: Contribution to journalArticleResearchpeer-review

Open Access
File

Systematic Assessment of the Photochemical Stability of Photoinitiator-Derived Macromolecular Chain Termini

Fast, D., Lauer, A., Kelterer, A-M., Frick, E., Neshchadin, D., Voll, D., Gescheidt-Demner, G. & Barner-Kowollik, C., 2015, In : Macromolecules. 48, 23, p. 8451-8460

Research output: Contribution to journalArticleResearchpeer-review

Theoretical Study of Electronic Transitions of a Polymer Model Carrying a Benzoyl End Group

Kelterer, A-M., Fast, D., Lauer, A., Voll, D., Gescheidt-Demner, G. & Barner-Kowollik, C., 2015.

Research output: Contribution to conferencePosterResearch

Theoretical Study of Electronic Transitions of a Polymer Model Carrying a Benzoyl End Group

Kelterer, A-M., Fast, D., Lauer, A., Voll, D., Gescheidt-Demner, G. & Barner-Kowollik, C., 8 Jun 2015.

Research output: Contribution to conference(Old data) Lecture or PresentationResearch

2014

A novel membrane transport model for polymer electrolyte fuel cell simulations

Karpenko-Jereb, L., Innerwinkler, P., Kelterer, A-M., Sternig, C., Fink, C., Tatschl, R. & Prenninger, P., 2014, In : International Journal of Hydrogen Energy. 39, 13, p. 7077-7088

Research output: Contribution to journalArticleResearchpeer-review

Open Access
File

A Theoretical Study on Trivalent Europium: From the Free Ion to the Water Complex

Holzer, C., Wernbacher, A., Senekowitsch, J. M., Gatterer, K. & Kelterer, A-M., 2014, In : The journal of physical chemistry (Washington, DC) / A. 118, p. 11499-11511

Research output: Contribution to journalArticleResearchpeer-review

Behaviour of sulfonic groups in Nafion-Li+ and IonClad-Li+ membranes: theoretical and experimental studies

Rynkowska, E., Kelterer, A-M., Karpenko-Jereb, L., Chappey, C., Fatyeyeva, K., Marais, S. & Kujawski, W., 2014.

Research output: Contribution to conferencePosterResearch

Computational and experimental studies on the triplet states of various N-substituted 4,5,6,7-tetrachlorophthalimides

Kelterer, A-M., Mansha, A., Iftikhar, F. J., Zhang, Y., Wang, W., Xu, J-H. & Grampp, G., 2014, In : Journal of molecular modeling. 20, 7, p. 2344-13

Research output: Contribution to journalArticleResearchpeer-review

Is Tetrachlorocuprate(II) Square-Planar?

Holzer, C. & Kelterer, A-M., 21 Sep 2014.

Research output: Contribution to conference(Old data) Lecture or PresentationResearch

Long wavelength absorbing carbostyrils as test cases for different TDDFT procedures and solvent models

Kelterer, A-M., Uray, G. & Fabian, W. M., 2014, In : Journal of molecular modeling. 20, 5, p. 2217-5

Research output: Contribution to journalArticleResearchpeer-review

Theoretical and experimental investigation of Nafion(R)-Li+ and IonClad(TM)-Li+ membranes in contact with water and methanol

Rynkowska, E., Kelterer, A-M., Karpenko-Jereb, L., Chappey, C., Fatyeyeva, K., Marais, S. & Kujawski, W., 2014.

Research output: Contribution to conferencePosterResearch

Theoretical and Experimental Study on Europium and Neodymium Trivalent Ions in the Crystal Field of Water

Kelterer, A-M., Wernbacher, A. M., Holzer, C., Senekowitsch, J. M. & Gatterer, K., 21 Sep 2014.

Research output: Contribution to conference(Old data) Lecture or PresentationResearch

Theoretical study of polymer electrolyte membranes of different structure in water environment

Lunghammer, S., Rynkowska, E., Wernbacher, A. M., Kelterer, A-M., Karpenko-Jereb, L. & Kujawski, W., 2014.

Research output: Contribution to conferencePosterResearch

Theoretical Study on Europium and Neodymium Trivalent Ions in the Crystal Field of Water

Holzer, C., Wernbacher, A. M., Senekowitsch, J. M., Gatterer, K. & Kelterer, A-M., 2014.

Research output: Contribution to conferencePosterResearch

2013

Aplicacion en Modelado Quimiometrico de Espectros Electronicos de Compuestos de Interes Farmacologico Obtenidos Mediante Calculos TD-DFT

Brasca, R., Goicoechea, H. C., Kelterer, A-M. & Fabian, W. M., 2013.

Research output: Contribution to conferencePosterResearch

Conductometric and computational study of cationic polymer membranes in H+ and Na+ forms at various hydration levels

Karpenko-Jereb, L., Kelterer, A-M., Berezina, N. & Pimenov, A., 2013, In : Journal of membrane science. 444, 1, p. 127-138

Research output: Contribution to journalArticleResearchpeer-review

Open Access
File

Hypersensitive transitions in Eu3+ ions: an experimental and theoretical study

Wernbacher, A. M., Holzer, C., Gatterer, K. & Kelterer, A-M., 25 Sep 2013.

Research output: Contribution to conference(Old data) Lecture or PresentationResearch

Interaction of cation exchange membrane with the solvent methanol and water

Wernbacher, A. M., Rynkowska, E., Karpenko-Jereb, L., Kujawski, W. & Kelterer, A-M., 2013.

Research output: Contribution to conferencePosterResearch

Interaction of polyelectrolyte membranes with water: a theoretical study

Lunghammer, S., Rynkowska, E., Wernbacher, A. M., Karpenko-Jereb, L., Kujawski, W. & Kelterer, A-M., 2013.

Research output: Contribution to conferencePosterResearch

Liquid structure of methanol-water binary mixture - a theoretical study

Matisz, G., Wernbacher, A. M., Kelterer, A-M., Fabian, W. M. & Kunsági-Máté, S., 2013.

Research output: Contribution to conferencePosterResearch

Photoinduced Electron Transfer with Triplet States of N-Phthalimides

Iftikhar, F. J., Mansha, A., Grampp, G. & Kelterer, A-M., 11 May 2013.

Research output: Contribution to conference(Old data) Lecture or PresentationResearch

Quantum Chemical Calculations on Eu-Quinolinate Complexes

Holzer, C., Wernbacher, A. M. & Kelterer, A-M., 2013.

Research output: Contribution to conferencePosterResearch

Quantum chemical study of pi-stacking interaction between substituted model phenyl-based dimers

Lukeš, V., Sládek, V., Kelterer, A-M., Ilčin, M., Bacher, D. L. & Reiter, V., 10 Apr 2013.

Research output: Contribution to conference(Old data) Lecture or PresentationResearch

Restricted Hartree-Fock Investigation of Nafion Membrane in Water and Methanol

Rynkowska, E., Kelterer, A-M., Karpenko-Jereb, L. & Kujawski, W., 2013.

Research output: Contribution to conferencePosterResearch

Spectroscopic behavior of loratidine and desloratidine in different aqueous media conditions studied by means of TD-DFT calculations

Brasca, R., Romero, M. A., Goicoechea, H. C., Kelterer, A-M. & Fabian, W. M., 2013, In : Spectrochimica acta / A. 115, p. 250-258

Research output: Contribution to journalArticleResearchpeer-review

Structure of neat and binary hydrogen-bonded liquids of primary alcohols within the Quantum Cluster Equilibrium theory

Matisz, G., Kelterer, A-M., Fabian, W. M. & Kunsági-Máté, S., 6 Mar 2013.

Research output: Contribution to conference(Old data) Lecture or PresentationResearch

Strucure of the Liquid Phase of Binary Mixtures of Primary Alcohols

Matisz, G., Kelterer, A-M., Fabian, W. M. & Kunsági-Máté, S., 26 Sep 2013.

Research output: Contribution to conference(Old data) Lecture or PresentationResearch