Search Results - "Howeler, Udo"

MCD of Non-Aromatic Cyclic π-Electron Systems. 3. The Perimeter Model for Low-Symmetry “Unaromatic” and “Ambiaromatic” Molecules Derived from 4N-Electron [n]Annulenes by Fleischhauer, Jörg, Höweler, Udo, Michl, Josef

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Elucidation of Single Hydrogen Bonds in GTPases via Experimental and Theoretical Infrared Spectroscopy by Mann, Daniel, Höweler, Udo, Kötting, Carsten, Gerwert, Klaus

“…Time-resolved Fourier transform infrared (FTIR) spectroscopy is a powerful tool to elucidate label-free the reaction mechanisms of proteins. After assignment…”
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Cover Feature: Design of an Ultrafast G Protein Switch Based on a Mouse Melanopsin Variant (ChemBioChem 14/2019) by Tennigkeit, Stefan Alexander, Karapinar, Raziye, Rudack, Till, Dreier, Max‐Aylmer, Althoff, Philipp, Eickelbeck, Dennis, Surdin, Tatjana, Grömmke, Michelle, Mark, Melanie D., Spoida, Katharina, Lübben, Mathias, Höweler, Udo, Herlitze, Stefan, Gerwert, Klaus

“…The cover feature picture shows a structural model of the molecular light switch melanopsin symbolically placed in a mouse brain. Light absorption of…”
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Design of an Ultrafast G Protein Switch Based on a Mouse Melanopsin Variant by Tennigkeit, Stefan Alexander, Karapinar, Raziye, Rudack, Till, Dreier, Max‐Aylmer, Althoff, Philipp, Eickelbeck, Dennis, Surdin, Tatjana, Grömmke, Michelle, Mark, Melanie D., Spoida, Katharina, Lübben, Mathias, Höweler, Udo, Herlitze, Stefan, Gerwert, Klaus

“…The primary goal of optogenetics is the light‐controlled noninvasive and specific manipulation of various cellular processes. Herein, we present a hybrid…”
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MCD of Non-Aromatic Cyclic π-Electron Systems. 3. The Perimeter Model for Low-Symmetry “Unaromatic” and “Ambiaromatic” Molecules Derived from 4 N -Electron [ n ]Annulenes by Fleischhauer, Jörg, Höweler, Udo, Michl, Josef

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Simulations of a G protein-coupled receptor homology model predict dynamic features and a ligand binding site by Wolf, Steffen, Böckmann, Marcus, Höweler, Udo, Schlitter, Jürgen, Gerwert, Klaus

“…A computational approach to predict structures of rhodopsin-like G protein-coupled receptors (GPCRs) is presented and evaluated by comparison to the X-ray…”
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Magnetic Circular Dichroism of Nonaromatic Cyclic π-Electron Systems. 5. Biphenylene and Its Aza Analogues by Fleischhauer, Jörg, Höweler, Udo, Spanget-Larsen, Jens, Raabe, Gerhard, Michl, Josef

“…The algebraic form of the perimeter model for nonaromatic cyclic π-electron systems developed in parts 1−4 of this series is used to analyze the previously…”
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Temperature-Dependent Phase Behavior and the Crystal-Forming Nucleation Process of Ethyl 4-Fluoro-2,3-dihydroxystearate Monolayers by Steffens, Silke, Höweler, Udo, Jödicke, Tim, Oldendorf, Jens, Rudert, Rainer, Haufe, Günter, Galla, Hans-Joachim

“…The phase behavior of enantiomeric compounds as well as mixtures of enantiopure and racemic diastereomers of ethyl 4-fluoro-2,3-dihydroxystearates has been…”
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MCD of Nonaromatic Cyclic π-Electron Systems. 3. The Perimeter Model for Low-Symmetry “Unaromatic” and “Ambiaromatic” Molecules Derived from 4N-Electron [n]Annulenes by Fleischhauer, Jörg, Höweler, Udo, Michl, Josef

“…The LCAO version of the perimeter model with overlap through second order is used to treat the ππ* electronic absorption and magnetic circular dichroism (MCD)…”
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Selectivity of Candida rugosa lipase in simultaneous separation of skeletal isomers, desymmetrization, and kinetic racemate cleavage of 9-oxabicyclononanediols by Hegemann, Klaus, Schimanski, Holger, Höweler, Udo, Haufe, Günter

“…The diols 2 and 3 , available in one step from cycloocta-1,5-diene, are selectively acetylated at the ( R)-centers using Candida rugosa lipase to give the…”
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MCD of Nonaromatic Cyclic π-Electron Systems. 3. The Perimeter Model for Low-Symmetry “Unaromatic” and “Ambiaromatic” Molecules Derived from 4 N -Electron [ n ]Annulenes by Fleischhauer, Jörg, Höweler, Udo, Michl, Josef

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MCD of non-aromatic cyclic π-electron systems. Part 6: Pentalenes and heptalenes by Fleischhauer, Jörg, Raabe, Gerhard, Klingensmith, Kenneth A., Höweler, Udo, Chatterjee, Prabir K., Hafner, Klaus, Vogel, Emanuel, Michl, Josef

“…The magnetic circular dichroism (MCD) spectra of several stable derivatives of pentalene (1) and heptalene (2) have been recorded. The lowest energy transition…”
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Magnetic circular dichroism of non-aromatic cyclic π-electron systems. 2. [1] The perimeter model for high-symmetry ‘unaromatic’ and ‘ambiaromatic’ molecules derived from 4N-electron [n]annulenes by Fleischhauer, Jörg, Höweler, Udo, Michl, Josef

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Conformational Features of Group-4 ansa-Metallocenes with Long −(CH2)n− Chains Connecting Their Cyclopentadienyl Ligands by Jödicke, Tim, Menges, Frederik, Kehr, Gerald, Erker, Gerhard, Höweler, Udo, Fröhlich, Roland

“…Treatment of 1,9‐bis(lithiocyclopentadienyl)nonane (8b) with ZrCl4(THF)2, in dilute solution, gave the crystalline mononuclear “large” ansa‐metallocene 3b (7%…”
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Complexation of fullerenes by calix[n]arenes: molecular dynamic simulations and benesi-hildebrandequilibrium constants by Schlachter, Ingo, Höweler, Udo, Iwanek, Waldemar, Urbaniak, Mariusz, Mattay, Jochen

“…MD simulations using a combination of AMI and AMBER are performed to elucidate the origin of complexation between fullerenes and calix[n]arenes (n = 4,6,8)…”
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Magnetic circular dichroism of non-aromatic cyclic π-electron systems. 2. [1] The perimeter model for high-symmetry ‘unaromatic’ and ‘ambiaromatic’ molecules derived from 4 N-electron [ n]annulenes by Fleischhauer, Jörg, Höweler, Udo, Michl, Josef

“…The effects on ππ* electronic absorption and magnetic circular dichroism (MCD) produced by structural perturbations that convert biradical (antiaromatic)…”
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Conformational Features of Group-4ansa-Metallocenes with Long −(CH2)n− Chains Connecting Their Cyclopentadienyl Ligands by Jödicke, Tim, Menges, Frederik, Kehr, Gerald, Erker, Gerhard, Höweler, Udo, Fröhlich, Roland

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Electronic states and magnetic circular dichroism of cyclic π systems with antiaromatic perimeters by Howeler, Udo, Chatterjee, P. S., Klingensmith, K. A., Waluk, J., Michl, J.

“…Abstract…”
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A Valence Force Field for Zirconocene Dichlorides by Hoeweler, Udo, Mohr, Roland, Knickmeier, Markus, Erker, Gerhard

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Combined quantum chemical and MM-approach to the endo/exo selectivity of diels-alder reactions in polar media by Schlachter, Ingo, Mattay, Jochen, Suer, Josef, Höweler, Udo, Würthwein, Gudrun, Würthwein, Ernst-Ulrich

“…The endo/exo selectivity of Diels-Alder reactions in water and methanol is studied with semiempirical methods using the SCRF approach and a combined quantum…”
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