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Bond torsion affects the product distribution in the photoreaction of retinal model chromophores

Oliver Weingart, Igor Schapiro, Volker Buss

Journal:

Journal of Molecular Modeling

Année:

2006

Langue:

english

Fichier:

PDF, 418 KB

english, 2006

Conical intersection dynamics of the primary photoisomerization event in vision

Polli, Dario, Altoè, Piero, Weingart, Oliver, Spillane, Katelyn M., Manzoni, Cristian, Brida, Daniele, Tomasello, Gaia, Orlandi, Giorgio, Kukura, Philipp, Mathies, Richard A.

Journal:

Nature

Année:

2010

Langue:

english

Fichier:

PDF, 882 KB

english, 2010

Interfacial States in Donor–Acceptor Organic Heterojunctions: Computational Insights into Thiophene-Oligomer/Fullerene Junctions

Sen, Kakali, Crespo-Otero, Rachel, Weingart, Oliver, Thiel, Walter, Barbatti, Mario

Journal:

Journal of Chemical Theory and Computation

Année:

2013

Langue:

english

Fichier:

PDF, 2.40 MB

english, 2013

Emergency Neurological Life Support: Acute Non-Traumatic Weakness

Oliver Flower, Christine Bowles, Eelco Wijdicks, Scott D. Weingart…

Journal:

Neurocritical Care

Année:

2012

Langue:

english

Fichier:

PDF, 325 KB

english, 2012

Occurrence of Biogenic Amines and Polyamines in Spinach and Changes during Storage under Refrigeration

Lavizzari, Tommaso, Veciana-Nogués, Maria Teresa, Weingart, Oliver, Bover-Cid, Sara, Mariné-Font, Abel, Vidal-Carou, Maria Carmen

Journal:

Journal of Agricultural and Food Chemistry

Année:

2007

Langue:

english

Fichier:

PDF, 110 KB

english, 2007

The effect of solvent relaxation in the ultrafast time-resolved spectroscopy of solvated benzophenone.

Zvereva, Elena, Segarra-Marti, Javier, Marazzi, Marco, Brazard, Johanna, Nenov, Artur, Weingart, Oliver, Léonard, Jérémie, Garavelli, Marco, Rivalta, Ivan, Dumont, Elise, Assfeld, Xavier, Haacke, Stef

Journal:

Photochemical & Photobiological Sciences

Année:

2018

Langue:

english

Fichier:

PDF, 1.49 MB

english, 2018

Schnelle Photoisomerisierung eines Rhodopsinmodells – eine Ab-initio-Moleküldynamikstudie

Volker Buß, Oliver Weingart, Minoru Sugihara

Journal:

Angewandte Chemie

Année:

2000

Langue:

german

Fichier:

PDF, 131 KB

german, 2000

Fast Photoisomerization of a Rhodopsin Model—An Ab Initio Molecular Dynamics Study

Volker Buß, Oliver Weingart, Minoru Sugihara

Journal:

Angewandte Chemie International Edition

Année:

2000

Langue:

english

Fichier:

PDF, 119 KB

english, 2000

Cyclic diphenic hydrazide: crystal structure, resolution, absolute configuration, and enantiomerization pathway investigation

Denis A. Lenev, Konstantin A. Lyssenko, Denis G. Golovanov, Oliver Weingart, Volker Buß, Remir G. Kostyanovsky

Journal:

Tetrahedron: Asymmetry

Année:

2004

Langue:

english

Fichier:

PDF, 472 KB

english, 2004

The role of HOOP-modes in the ultrafast photo-isomerization of retinal models

Oliver Weingart

Journal:

Chemical Physics

Année:

2008

Langue:

english

Fichier:

PDF, 204 KB

english, 2008

Cooperating Dinitrogen and Phenyl Rotations in trans- Azobenzene Photoisomerization

Gámez, José A., Weingart, Oliver, Koslowski, Axel, Thiel, Walter

Journal:

Journal of Chemical Theory and Computation

Année:

2012

Langue:

english

Fichier:

PDF, 1.28 MB

english, 2012

Nonadiabatic Decay Dynamics of a Benzylidene Malononitrile

Lan, Zhenggang, Lu, You, Weingart, Oliver, Thiel, Walter

Journal:

Journal of Physical Chemistry A

Année:

2012

Langue:

english

Fichier:

PDF, 2.66 MB

english, 2012

Density-functional theory study of vibrational relaxation of CO stretching excitation on Si(100)

Sakong, Sung, Kratzer, Peter, Han, Xu, Laß, Kristian, Weingart, Oliver, Hasselbrink, Eckart

Journal:

The Journal of Chemical Physics

Année:

2008

Langue:

english

Fichier:

PDF, 2.07 MB

english, 2008

Ground and Excited States of Retinal Schiff Base Chromophores by Multiconfigurational Perturbation Theory

Sekharan, Sivakumar, Weingart, Oliver, Buss, Volker

Journal:

Biophysical Journal

Année:

2006

Langue:

english

Fichier:

PDF, 103 KB

english, 2006

Sampling excited state dynamics: influence of HOOP mode excitations in a retinal model

Klaffki, Nicole, Weingart, Oliver, Garavelli, Marco, Spohr, Eckhard

Journal:

Physical Chemistry Chemical Physics

Année:

2012

Langue:

english

Fichier:

PDF, 2.21 MB

english, 2012

Product formation in rhodopsin by fast hydrogen motions

Weingart, Oliver, Altoè, Piero, Stenta, Marco, Bottoni, Andrea, Orlandi, Giorgio, Garavelli, Marco

Journal:

Physical Chemistry Chemical Physics

Année:

2011

Langue:

english

Fichier:

PDF, 1.80 MB

english, 2011

Wavepacket Splitting and Two-Pathway Deactivation in the Photoexcited Visual Pigment Isorhodopsin

Polli, Dario, Weingart, Oliver, Brida, Daniele, Poli, Emiliano, Maiuri, Margherita, Spillane, Katelyn M., Bottoni, Andrea, Kukura, Philipp, Mathies, Richard A., Cerullo, Giulio, Garavelli, Marco

Journal:

Angewandte Chemie International Edition

Année:

2014

Langue:

english

Fichier:

PDF, 927 KB

english, 2014

Eckpunktepapier zur Weiterentwicklung des „Curriculums Evidenzbasierte Medizin“ der Bundesärztekammer und dem Deutschen Netzwerk Evidenzbasierte Medizin e.V.

Siebolds, Marcus, Albrecht, Martina, Kahl, Cornelia, Langer, Gero, Lühmann, Dagmar, Pralle, Karl Heinz, Schwalbe, Oliver, Steckelberg, Anke, Strametz, Reinhard, Weingart, Olaf, Weberschock, Tobias

Journal:

Zeitschrift für Evidenz, Fortbildung und Qualität im Gesundheitswesen

Année:

2013

Langue:

german

Fichier:

PDF, 935 KB

german, 2013

Bicycle-Pedal Isomerization in a Rhodopsin Chromophore Model

Schapiro, Igor, Weingart, Oliver, Buss, Volker

Journal:

Journal of the American Chemical Society

Année:

2009

Langue:

english

Fichier:

PDF, 337 KB

english, 2009

Protein Assistance in the Photoisomerization of Rhodopsin and 9- cis -RhodopsinInsights from Experiment and Theory

Sekharan, Sivakumar, Sugihara, Minoru, Weingart, Oliver, Okada, Tetsuji, Buss, Volker

Journal:

Journal of the American Chemical Society

Année:

2007

Langue:

english

Fichier:

PDF, 125 KB

english, 2007

Modelling Time-Resolved Two-Dimensional Electronic Spectroscopy of the Primary Photoisomerization Event in Rhodopsin

Rivalta, Ivan, Nenov, Artur, Weingart, Oliver, Cerullo, Giulio, Garavelli, Marco, Mukamel, Shaul

Journal:

Journal of Physical Chemistry B

Année:

2014

Langue:

english

Fichier:

PDF, 1.83 MB

english, 2014

Chiral Pathways and Periodic Decay in cis -Azobenzene Photodynamics

Weingart, Oliver, Lan, Zhenggang, Koslowski, Axel, Thiel, Walter

Journal:

The Journal of Physical Chemistry Letters

Année:

2011

Langue:

english

Fichier:

PDF, 1.87 MB

english, 2011

Probing the Photochemical Funnel of a Retinal Chromophore Model via Zero-Point Energy Sampling Semiclassical Dynamics

Weingart, Oliver, Migani, Annapaola, Olivucci, Massimo, Robb, Michael A., Buss, Volker, Hunt, Patricia

Journal:

Journal of Physical Chemistry A

Année:

2004

Langue:

english

Fichier:

PDF, 243 KB

english, 2004

Photochemistry of Visual Pigment Chromophore Models by Ab Initio Molecular Dynamics

Weingart, Oliver, Schapiro, Igor, Buss, Volker

Journal:

Journal of Physical Chemistry B

Année:

2007

Langue:

english

Fichier:

PDF, 209 KB

english, 2007

The Twisted C11C12 Bond of the Rhodopsin ChromophoreA Photochemical Hot Spot

Weingart, Oliver

Journal:

Journal of the American Chemical Society

Année:

2007

Langue:

english

Fichier:

PDF, 59 KB

english, 2007

Periodic decay in the photoisomerisation of p-aminoazobenzene

Gámez, José A., Weingart, Oliver, Koslowski, Axel, Thiel, Walter

Journal:

Physical Chemistry Chemical Physics

Année:

2013

Langue:

english

Fichier:

PDF, 2.14 MB

english, 2013

Modeling hot-electron generation induced by electron promotion in atomic collision cascades in metals

Duvenbeck, Andreas, Weidtmann, Boris, Weingart, Oliver, Wucher, Andreas

Journal:

Physical Review B

Année:

2008

Langue:

english

Fichier:

PDF, 458 KB

english, 2008

A Bioanalytical Platform for Simultaneous Detection and Quantification of Biological Toxins

Weingart, Oliver G., Gao, Hui, Crevoisier, François, Heitger, Friedrich, Avondet, Marc-André, Sigrist, Hans

Journal:

Sensors

Année:

2012

Langue:

english

Fichier:

PDF, 595 KB

english, 2012

The photoformation of a phthalide: a ketene intermediate traced by FSRS

Fröbel, Sascha, Buschhaus, Laura, Villnow, Torben, Weingart, Oliver, Gilch, Peter

Journal:

Physical Chemistry Chemical Physics

Année:

2015

Langue:

english

Fichier:

PDF, 2.90 MB

english, 2015

Aufspaltung des Wellenpakets und Doppelpfad-Desaktivierung im photoangeregten Sehpigment Isorhodopsin

Polli, Dario, Weingart, Oliver, Brida, Daniele, Poli, Emiliano, Maiuri, Margherita, Spillane, Katelyn M., Bottoni, Andrea, Kukura, Philipp, Mathies, Richard A., Cerullo, Giulio, Garavelli, Marco

Journal:

Angewandte Chemie

Année:

2014

Fichier:

PDF, 1.19 MB

2014

Femtosecond Spectroscopy of Calcium Dipicolinate—A Major Component of Bacterial Spores

Mundt, Ramona, Torres Ziegenbein, Christian, Fröbel, Sascha, Weingart, Oliver, Gilch, Peter

Journal:

Journal of Physical Chemistry B

Année:

2016

Langue:

english

Fichier:

PDF, 2.52 MB

english, 2016

Nerve cell-mimicking liposomes as biosensor for botulinum neurotoxin complete physiological activity

Weingart, Oliver G., Loessner, Martin J.

Journal:

Toxicology and Applied Pharmacology

Année:

2016

Langue:

english

Fichier:

PDF, 522 KB

english, 2016

New Perspectives On An Old Issue: A Comparative MS-CASPT2 and OM2-MRCI Study of Polyenes and Protonated Schiff Bases

Dokukina, Irina, Marian, Christel M., Weingart, Oliver

Journal:

Photochemistry and Photobiology

Année:

2017

Langue:

english

Fichier:

PDF, 647 KB

english, 2017

Dual Photochemical Reaction Pathway in Flavin-Based Photoreceptor LOV Domain: A Combined Quantum-Mechanics/Molecular-Mechanics Investigation

Nakagawa, Setsuko, Weingart, Oliver, Marian, Christel M.

Journal:

Journal of Physical Chemistry B

Année:

2017

Langue:

english

Fichier:

PDF, 1.71 MB

english, 2017

Introduction, Festschrift in Honor of Prof. Volker Bu β

Schapiro, Igor, Weingart, Oliver

Journal:

Photochemistry and Photobiology

Année:

2017

Langue:

english

Fichier:

PDF, 81 KB

english, 2017

Relationship between Excited State Lifetime and Isomerization Quantum Yield in Animal Rhodopsins: Beyond the One-Dimensional Landau–Zener Model

El-Tahawy, Mohsen M. T., Nenov, Artur, Weingart, Oliver, Olivucci, Massimo, Garavelli, Marco

Journal:

The Journal of Physical Chemistry Letters

Année:

2018

Langue:

english

Fichier:

PDF, 1014 KB

english, 2018

COBRAMM 2.0 — A software interface for tailoring molecular electronic structure calculations and running nanoscale (QM/MM) simulations

Weingart, Oliver, Nenov, Artur, Altoè, Piero, Rivalta, Ivan, Segarra-Martí, Javier, Dokukina, Irina, Garavelli, Marco

Journal:

Journal of Molecular Modeling

Année:

2018

Langue:

english

Fichier:

PDF, 5.33 MB

english, 2018

QM/MM photodynamics of Retinal in the Channelrhodopsin Chimera C1C2 with OM3/MRCI

Dokukina, Irina, Nenov, Artur, Marian, Christel Maria, Garavelli, Marco, Weingart, Oliver

Journal:

ChemPhotoChem

Année:

2018

Langue:

english

Fichier:

PDF, 6.65 MB

english, 2018

On the large apparent Stokes shift of phthalimides

Reiffers, Anna, Torres Ziegenbein, Christian, Schubert, Luiz, Diekmann, Janina, Thom, Kristoffer A., Kühnemuth, Ralf, Griesbeck, Axel, Weingart, Oliver, Gilch, Peter

Journal:

Physical Chemistry Chemical Physics

Année:

2019

Langue:

english

Fichier:

PDF, 7.50 MB

english, 2019

MOFs with Potential Application for SO2-Separation and Flue Gas Desulfurization

Brandt, Philipp, Nuhnen, Alexander, Lange, Marcus, Möllmer, Jens, Weingart, Oliver, Janiak, Christoph

Journal:

ACS Applied Materials & Interfaces

Année:

2019

Langue:

english

Fichier:

PDF, 927 KB

english, 2019

In vitro quantification of botulinum neurotoxin type A1 using immobilized nerve cell-mimicking nanoreactors in a microfluidic platform

Weingart, Oliver G., Eyer, Klaus, Lüchtenborg, Christian, Sachsenheimer, Timo, Brügger, Britta, van Oostrum, Marc, Wollscheid, Bernd, Dittrich, Petra S., Loessner, Martin J.

Journal:

The Analyst (Royal Society of Chemistry)

Année:

2019

Langue:

english

Fichier:

PDF, 2.63 MB

english, 2019

Fluorinated azobenzenes as supramolecular halogen-bonding building blocks

Nieland, Esther, Weingart, Oliver, Schmidt, Bernd M

Journal:

Beilstein Journal of Organic Chemistry

Année:

2019

Langue:

english

Fichier:

PDF, 5.78 MB

english, 2019

[AIP COMPUTATIONAL METHODS IN SCIENCE AND ENGINEERING: Theory and Computation: Old Problems and New Challenges. Lectures Presented at the International Conference on Computational Methods in Science and Engineering 2007 (ICCMSE 2007): VOLUME 1 - ()] AIP Conference Proceedings - Protein Induced Torsion of the Retinal Chromophore and How it Affects the Photochemistry of Rhopdopsin

Weingart, Oliver, Buss, Volker, Simos, Theodore E., Maroulis, George

Année:

2007

Fichier:

PDF, 771 KB

2007

The Solid-State Landscape of 4,4â-Azobis(3,5-dimethyl-1H-pyrazole) With the Isolation of Conformer-dependent Polymorphs

Millan, Simon, Nasir, Jamal, Gil-HernÃ¡ndez, Beatriz, Knedel, Tim-Oliver, Moll, Bastian, Boldog, Ishtvan, Weingart, Oliver, Schmedt auf der GÃ¼nne, JÃ¶rn, Janiak, Christoph

Journal:

Crystal Growth & Design

Année:

2020

Fichier:

PDF, 1.45 MB

2020

Coordinatively unsaturated metal sites (open metal sites) in metalâorganic frameworks: design and applications

KÃ¶kÃ§am-Demir, ÃlkÃ¼, Goldman, Anna, Esrafili, Leili, Gharib, Maniya, Morsali, Ali, Weingart, Oliver, Janiak, Christoph

Journal:

Chemical Society Reviews

Année:

2020

Langue:

english

Fichier:

PDF, 10.56 MB

english, 2020

Encapsulation of Phosphorescent Pt(II) Complexes in Zn-Based MetalâOrganic Frameworks toward Oxygen-Sensing Porous Materials

Knedel, Tim-Oliver, Buss, Stefan, Maisuls, IvÃ¡n, Daniliuc, Constantin G., SchlÃ¼sener, Carsten, Brandt, Philipp, Weingart, Oliver, Vollrath, Annette, Janiak, Christoph, Strassert, Cristian A.

Journal:

Inorganic Chemistry

Année:

2020

Fichier:

PDF, 7.37 MB

2020