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Matthias Hennemann
Matthias Hennemann
Computer-Chemistry-Center, University of Erlangen-Nuremberg
Verified email at fau.de
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Cited by
Year
Halogen bonding: the σ-hole: Proceedings of “Modeling interactions in biomolecules II”, Prague, September 5th–9th, 2005
T Clark, M Hennemann, JS Murray, P Politzer
Journal of molecular modeling 13, 291-296, 2007
24432007
Solvatochromic covalent organic frameworks
L Ascherl, EW Evans, M Hennemann, D Di Nuzzo, AG Hufnagel, M Beetz, ...
Nature Communications 9 (1), 3802, 2018
1982018
Polarization-induced σ-holes and hydrogen bonding
M Hennemann, JS Murray, P Politzer, KE Riley, T Clark
Journal of molecular modeling 18, 2461-2469, 2012
1342012
Improving the charge transport in self-assembled monolayer field-effect transistors: from theory to devices
CM Jäger, T Schmaltz, M Novak, A Khassanov, A Vorobiev, ...
Journal of the American Chemical Society 135 (12), 4893-4900, 2013
902013
CypScore: Quantitative prediction of reactivity toward cytochromes P450 based on semiempirical molecular orbital theory
M Hennemann, A Friedl, M Lobell, J Keldenich, A Hillisch, T Clark, ...
ChemMedChem: Chemistry Enabling Drug Discovery 4 (4), 657-669, 2009
862009
Energy efficient ultrahigh flux separation of oily pollutants from water with superhydrophilic nanoscale metal–organic framework architectures
A Mähringer, M Hennemann, T Clark, T Bein, DD Medina
Angewandte Chemie International Edition 60 (10), 5519-5526, 2021
742021
EMPIRE: a highly parallel semiempirical molecular orbital program: 1: self-consistent field calculations
M Hennemann, T Clark
Journal of molecular modeling 20, 1-11, 2014
582014
In silico prediction of buffer solubility based on quantum-mechanical and HQSAR-and topology-based descriptors
AH Göller, M Hennemann, J Keldenich, T Clark
Journal of chemical information and modeling 46 (2), 648-658, 2006
452006
Solvation Largely Accounts for the Effect of N-Alkylation on the Properties of Nickel(II/I) and Chromium(III/II) Cyclam Complexes
T Clark, M Hennemann, R Van Eldik, D Meyerstein
Inorganic chemistry 41 (11), 2927-2935, 2002
412002
P6 Manganocene and P3 Cymantrene: Consequences of the Inclusion of Phosphorus Atoms in Mn‐Coordinated Cyclopentadienyl Ligands
T Clark, A Elvers, FW Heinemann, M Hennemann, M Zeller, U Zenneck
Angewandte Chemie International Edition 39 (12), 2087-2091, 2000
382000
EMPIRE: a highly parallel semiempirical molecular orbital program: 2: periodic boundary conditions
JT Margraf, M Hennemann, B Meyer, T Clark
Journal of Molecular Modeling 21, 1-7, 2015
302015
A QSPR-Approach to the Estimation of the pK HB of Six-Membered Nitrogen-Heterocycles using Quantum Mechanically Derived Descriptors
M Hennemann, T Clark
Molecular modeling annual 8, 95-101, 2002
302002
Near‐infrared Fourier transform surface‐enhanced Raman scattering spectroscopy of 1, 4‐benzodiazepine drugs employing gold films over nanospheres
G Trachta, B Schwarze, G Brehm, S Schneider, M Hennemann, T Clark
Journal of Raman spectroscopy 35 (5), 368-383, 2004
282004
An Electrically Conducting Three‐Dimensional Iron–Catecholate Porous Framework
A Mähringer, M Döblinger, M Hennemann, C Gruber, D Fehn, PI Scheurle, ...
Angewandte Chemie International Edition 60 (33), 18065-18072, 2021
262021
Quantum mechanics-based properties for 3D-QSAR
A El Kerdawy, S Güssregen, H Matter, M Hennemann, T Clark
Journal of chemical information and modeling 53 (6), 1486-1502, 2013
242013
Ambiphilicity: A Characteristic Reactivity Principle of π‐Bound Phosphorus Heterocycles
C Topf, T Clark, FW Heinemann, M Hennemann, S Kummer, H Pritzkow, ...
Angewandte Chemie International Edition 41 (21), 4047-4052, 2002
222002
Oriented Thiophene‐Extended Benzotrithiophene Covalent Organic Framework Thin Films: Directional Electrical Conductivity
L Frey, JF Pöhls, M Hennemann, A Mähringer, S Reuter, T Clark, ...
Advanced Functional Materials 32 (47), 2205949, 2022
212022
Self-consistent field convergence for proteins: a comparison of full and localized-molecular-orbital schemes
CR Wick, M Hennemann, JJP Stewart, T Clark
Journal of molecular modeling 20, 1-6, 2014
192014
EMPIRE: a highly parallel semiempirical molecular orbital program: 3: Born-Oppenheimer molecular dynamics
JT Margraf, M Hennemann, T Clark
Journal of Molecular Modeling 26, 1-9, 2020
172020
Predicting the sites and energies of noncovalent intermolecular interactions using local properties
A El Kerdawy, CR Wick, M Hennemann, T Clark
Journal of chemical information and modeling 52 (4), 1061-1071, 2012
172012
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