Johannes Frenzel

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Gotthard SeifertProfessor für Theoretische Chemie,TU DresdenVerified email at chemie.tu-dresden.de
Thomas HeineProfessor of Theoretical ChemistryVerified email at tu-dresden.de
"Helio Anderson Duarte" OU "Helio A....Department of Chemistry, Universidade Federal de Minas GeraisVerified email at ufmg.br
Luis Martínez SuárezRuhr University BochumVerified email at theochem.rub.de
Agnieszka KucHelmholtz-Zentrum Dresden-Rossendorf | Center for Advanced Systems Understanding (CASUS)Verified email at hzdr.de
Binit LukoseBoston University, USA; Cornell University, USA; Jacobs University Bremen, GermanyVerified email at bu.edu
Nisanth N. NairIndian Institute of Technology KanpurVerified email at iitk.ac.in
Luciana GuimaraesProfessora de Química, Universidade Federal de São João del ReiVerified email at ufsj.edu.br
Sibylle Gemming (Köstlmeier)Professor of Theoretical Physics, TU ChemnitzVerified email at physik.tu-chemnitz.de
Lucas VisscherProfessor of Theoretical Chemistry, VU University AmsterdamVerified email at vu.nl
Hegoi ManzanoDepartment of Physics, UPV/EHU, (ORCID 0000-0001-7992-2718)Verified email at ehu.eus
Petko Petkov; Petko St PetkovUniversity of Sofia, BulgariaVerified email at chem.uni-sofia.bg

Johannes Frenzel

Theoretical Chemistry, Ruhr-University Bochum, Bochum, Germany

Verified email at theochem.rub.de - Homepage

theoretical chemistry ab inito molecular dynamics catalysis nanoparticles density functional tight-binding


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Imogolite nanotubes: stability, electronic, and mechanical properties L Guimarães, AN Enyashin, J Frenzel, T Heine, HA Duarte, G Seifert Acs Nano 1 (4), 362-368, 2007	214	2007
Adsorption of Phosphonic Acid at the TiO₂ Anatase (101) and Rutile (110) Surfaces R Luschtinetz, J Frenzel, T Milek, G Seifert The Journal of Physical Chemistry C 113 (14), 5730-5740, 2009	197	2009
On the reticular construction concept of covalent organic frameworks B Lukose, A Kuc, J Frenzel, T Heine Beilstein journal of nanotechnology 1 (1), 60-70, 2010	168	2010
Adsorption of phosphonic and ethylphosphonic acid on aluminum oxide surfaces R Luschtinetz, AF Oliveira, J Frenzel, JO Joswig, G Seifert, HA Duarte Surface Science 602 (7), 1347-1359, 2008	141	2008
Reaction network of methanol synthesis over Cu/ZnO nanocatalysts L Martinez-Suarez, N Siemer, J Frenzel, D Marx ACS Catalysis 5 (7), 4201-4218, 2015	104	2015
Semi-relativistic, self-consistent charge Slater-Koster tables for density-functional based tight-binding (DFTB) for materials science simulations J Frenzel, AF Oliveira, N Jardillier, T Heine, G Seifert Zeolites 2 (7), 2009, 2004	100	2004
Optical excitations in cadmium sulfide nanoparticles J Frenzel, JO Joswig, G Seifert The Journal of Physical Chemistry C 111 (29), 10761-10770, 2007	97	2007
Structural and electronic properties of bulk gibbsite and gibbsite surfaces J Frenzel, AF Oliveira, HA Duarte, T Heine, G Seifert Zeitschrift für anorganische und allgemeine Chemie 631 (6‐7), 1267-1271, 2005	75	2005
Atomic-Scale Explanation of O₂ Activation at the Au–TiO₂ Interface N Siemer, A Lüken, M Zalibera, J Frenzel, D Muñoz-Santiburcio, ... Journal of the American Chemical Society 140 (51), 18082-18092, 2018	64	2018
Do cement nanotubes exist? H Manzano, AN Enyashin, JS Dolado, A Ayuela, J Frenzel, G Seifert Advanced Materials 24 (24), 3239-3245, 2012	60	2012
Structural properties of metal‐organic frameworks within the density‐functional based tight‐binding method B Lukose, B Supronowicz, P St. Petkov, J Frenzel, AB Kuc, G Seifert, ... physica status solidi (b) 249 (2), 335-342, 2012	54	2012
Efficient calculation of electronic absorption spectra by means of intensity-selected time-dependent density functional tight binding R Ruger, E Van Lenthe, Y Lu, J Frenzel, T Heine, L Visscher Journal of chemical theory and computation 11 (1), 157-167, 2015	44	2015
Methanol synthesis on ZnO(0001¯). III. Free energy landscapes, reaction pathways, and mechanistic insights J Kiss, J Frenzel, NN Nair, B Meyer, D Marx The Journal of chemical physics 134 (6), 2011	43	2011
Tuning the Reactivity of a Nanocatalyst via Gas Phase Pressure L Martínez-Suárez, J Frenzel, D Marx, B Meyer Physical review letters 110 (8), 086108, 2013	39	2013
The effects of organisation, embedding and surfactants on the properties of cadmium chalcogenide (CdS, CdSe and CdS/CdSe) semiconductor nanoparticles J Frenzel, JO Joswig, P Sarkar, G Seifert, M Springborg European journal of inorganic chemistry 2005 (18), 3585-3596, 2005	34	2005
Adsorption of nucleotides on the rutile (110) surface S Gemming, AN Enyashin, J Frenzel, G Seifert International Journal of Materials Research 101 (6), 758-764, 2010	27	2010
Cu/ZnO nanocatalysts in response to environmental conditions: surface morphology, electronic structure, redox state and CO 2 activation L Martínez-Suárez, J Frenzel, D Marx Physical Chemistry Chemical Physics 16 (47), 26119-26136, 2014	26	2014
Methanol synthesis on ZnO(). II. Structure, energetics, and vibrational signature of reaction intermediates J Kiss, J Frenzel, B Meyer, D Marx The Journal of Chemical Physics 139 (4), 044705, 2013	22	2013
Methanol synthesis on ZnO from molecular dynamics J Frenzel, J Kiss, NN Nair, B Meyer, D Marx physica status solidi (b) 250 (6), 1174-1190, 2013	22	2013
DeMonNano T Heine, M Rapacioli, S Patchkovskii, J Frenzel, A Koster, P Calaminici, ... Jacobs University Bremen, 2009	22	2009

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