Electronic Quantum Fluxes during Pericyclic Reactions Exemplified for the Cope Rearrangement of Semibullvalene (English)
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The journal of physical chemistry <Washington, DC> / B
;
115
, 18
; 5476-5484
;
2011
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ISSN:
- Article (Journal) / Print
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Title:Electronic Quantum Fluxes during Pericyclic Reactions Exemplified for the Cope Rearrangement of Semibullvalene
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Contributors:Andrae, Dirk ( author ) / Barth, Ingo / Bredtmann, Timm / Hege, Hans-Christian / Manz, Jörn / Marquardt, Falko / Paulus, Beate
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Published in:The journal of physical chemistry <Washington, DC> / B ; 115, 18 ; 5476-5484
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Publisher:
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Place of publication:Washington, DC
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Publication date:2011
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ISSN:
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Type of media:Article (Journal)
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Type of material:Print
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Language:English
- New search for: 35.10
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Table of contents – Volume 115, Issue 18
The tables of contents are generated automatically and are based on the data records of the individual contributions available in the index of the TIB portal. The display of the Tables of Contents may therefore be incomplete.
- 5037
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Tribute to Shaul MukamelChernyak, Vladimir Y. / Knoester, Jasper / Tretiak, Sergei et al. | 2011
- 5039
-
Autobiography of Shaul MukamelMukamel, Shaul et al. | 2011
- 5047
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Colleagues of Shaul Mukamel| 2011
- 5048
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Curriculum Vitae of Shaul Mukamel| 2011
- 5050
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Publications of Shaul Mukamel| 2011
- 5071
-
Fluorescence Intermittency from the Main Plant Light-Harvesting Complex: Resolving Shifts between Intensity LevelsKrüger, Tjaart P. J. / Ilioaia, Cristian / van Grondelle, Rienk et al. | 2011
- 5083
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Fluorescence Intermittency from the Main Plant Light-Harvesting Complex: Sensitivity to the Local EnvironmentKrüger, Tjaart P. J. / Ilioaia, Cristian / Valkunas, Leonas / van Grondelle, Rienk et al. | 2011
- 5096
-
Complex Polarization Propagator Approach in the Restricted Open-Shell, Self-Consistent Field Approximation: The Near K-Edge X-ray Absorption Fine Structure Spectra of Allyl and Copper PhthalocyanineLinares, Mathieu / Stafström, Sven / Rinkevicius, Zilvinas / Ågren, Hans / Norman, Patrick et al. | 2011
- 5103
-
Multimode Resonant Auger Scattering from the Ethene MoleculeLiu, Ji-Cai / Nicolas, Christophe / Sun, Yu-Ping / Flammini, Roberto / O’Keeffe, Patrick / Avaldi, Lorenzo / Morin, Paul / Kimberg, Victor / Kosugi, Nobuhiro / Gel’mukhanov, Faris et al. | 2011
- 5113
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Electronic Structures and Charge Transport of Stacked Annelated β-TrithiophenesLiu, Hongguang / Kang, Sunwoo / Lee, Jin Yong et al. | 2011
- 5113
-
Electronic Structures and Charge Transport of Stacked Annelated beta -TrithiophenesLiu, H. / Kang, S. / Lee, J.Y. et al. | 2011
- 5121
-
Anharmonic Electron−Phonon Coupling in Condensed Media: 1. FormalismToutounji, Mohamad et al. | 2011
- 5133
-
Vibronic Coupling in J-Aggregates and Beyond: A Direct Means of Determining the Exciton Coherence Length from the Photoluminescence SpectrumSpano, Frank C. / Yamagata, Hajime et al. | 2011
- 5144
-
Nonequilibrium Thermodynamics and Nose−Hoover DynamicsEsposito, Massimiliano / Monnai, Takaaki et al. | 2011
- 5148
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Semiclassical Quantization in Liouville Space for Vibrational DynamicsGruenbaum, Scott M. / Loring, Roger F. et al. | 2011
- 5157
-
Influence of Vibronic Coupling on Band Structure and Exciton Self-Trapping in α-PeryleneWest, Brantley A. / Womick, Jordan M. / McNeil, L. E. / Tan, Ke Jie / Moran, Andrew M. et al. | 2011
- 5157
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Influence of Vibronic Coupling on Band Structure and Exciton Self-Trapping in alpha -PeryleneWest, B.A. / Wornick, J.M. / McNeil, L.E. / Tan, K.J. / Moran, A.M. et al. | 2011
- 5168
-
Linear and Two-Dimensional Infrared Spectroscopic Study of the Amide I and II Modes in Fully Extended Peptide ChainsMaekawa, Hiroaki / Ballano, Gema / Toniolo, Claudio / Ge, Nien-Hui et al. | 2011
- 5183
-
Effect of Medium Chirality on the Rate of Resonance Energy TransferRodriguez, Justo J. / Salam, A. et al. | 2011
- 5191
-
Signature of Nonadiabatic Transitions on the Pump−Probe Infrared Spectra of a Hydrogen-Bonded Complex Dissolved in a Polar Solvent: A Computational StudyHanna, Gabriel / Geva, Eitan et al. | 2011
- 5201
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Exciton Dynamics in Semiconducting Carbon NanotubesGraham, M. W. / Chmeliov, J. / Ma, Y.-Z. / Shinohara, H. / Green, A. A. / Hersam, M. C. / Valkunas, L. / Fleming, G. R. et al. | 2011
- 5212
-
Experimental System for One-Dimensional Rotational Brownian MotionMcNaughton, Brandon H. / Kinnunen, Paivo / Shlomi, Miri / Cionca, Codrin / Pei, Shao Ning / Clarke, Roy / Argyrakis, Panos / Kopelman, Raoul et al. | 2011
- 5219
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Folding and Unfolding of Light-Triggered β-Hairpin Model PeptidesSchrader, Tobias E. / Cordes, Thorben / Schreier, Wolfgang J. / Koller, Florian O. / Dong, Shou-Liang / Moroder, Luis / Zinth, Wolfgang et al. | 2011
- 5219
-
Folding and Unfolding of Light-Triggered beta -Hairpin Model PeptidesSchrader, T.E. / Cordes, T. / Schreier, W.J. / Koller, F.O. / Dong, S.-L. / Moroder, L. / Zinth, W. et al. | 2011
- 5227
-
Laser-Controlled Fluorescence in Two-Level SystemsLeeder, Jamie M. / Bradshaw, David S. / Andrews, David L. et al. | 2011
- 5234
-
Tunneling under Coherent Control by Sequences of Unitary PulsesSaha, Rajdeep / Batista, Victor S. et al. | 2011
- 5243
-
Delocalization-Enhanced Long-Range Energy Transfer between Cryptophyte Algae PES45 Antenna ProteinsHossein-Nejad, H. / Curutchet, C. / Kubica, A. / Scholes, G.D. et al. | 2011
- 5243
-
Delocalization-Enhanced Long-Range Energy Transfer between Cryptophyte Algae PE545 Antenna ProteinsHossein-Nejad, Hoda / Curutchet, Carles / Kubica, Aleksander / Scholes, Gregory D. et al. | 2011
- 5254
-
Unraveling the Correlated Dynamics of the Double Hydrogen Bonds of Nucleic Acid Base Pairs in SolutionYan, Yun-an / Kühn, Oliver et al. | 2011
- 5260
-
Vibrational Energy Transfer between Carbon Nanotubes and Nonaqueous Solvents: A Molecular Dynamics StudyNelson, Tammie R. / Chaban, Vitaly V. / Prezhdo, Victor V. / Prezhdo, Oleg V. et al. | 2011
- 5268
-
Vibrational Spectroscopy of Water in Narrow NanoporesWeinwurm, Marcus / Dellago, Christoph et al. | 2011
- 5278
-
Generation of Random Numbers on Graphics Processors: Forced Indentation In Silico of the Bacteriophage HK97Zhmurov, A. / Rybnikov, K. / Kholodov, Y. / Barsegov, V. et al. | 2011
- 5289
-
Two-Dimensional Infrared Spectroscopy of Supercooled WaterPerakis, Fivos / Hamm, Peter et al. | 2011
- 5294
-
Structural Properties of a Membrane Associated Anchor DipeptideVolkov, Victor V. / Chelli, Riccardo / Muniz-Miranda, Francesco / Righini, Roberto et al. | 2011
- 5304
-
Local Geometry of Electromagnetic Fields Its Role in Molecular Multipole TransitionsYang, N. / Cohen, A.E. et al. | 2011
- 5304
-
Local Geometry of Electromagnetic Fields and Its Role in Molecular Multipole TransitionsYang, Nan / Cohen, Adam E. et al. | 2011
- 5312
-
On the Munn−Silbey Approach to Polaron Transport with Off-Diagonal Coupling and Temperature-Dependent Canonical TransformationsChen, Dongmeng / Ye, Jun / Zhang, Haijun / Zhao, Yang et al. | 2011
- 5322
-
Molecular Theory and Simulation of Coherence Transfer in Metal Carbonyls and Its Signature on Multidimensional Infrared SpectraBaiz, Carlos R. / Kubarych, Kevin J. / Geva, Eitan et al. | 2011
- 5340
-
Dynamics of Relaxation and Fluctuations of the Equilibrium State in an Incompletely Chaotic SystemYurovsky, Vladimir A. / Ben-Reuven, Abraham / Olshanii, Maxim et al. | 2011
- 5347
-
A Method for Determining Small Anharmonicity Values from 2DIR Spectra Using Thermally Induced Shifts of Frequencies of High-Frequency ModesLin, Zhiwei / Keiffer, Patrick / Rubtsov, Igor V. et al. | 2011
- 5354
-
Quantum Electron Tunneling in Respiratory Complex IHayashi, Tomoyuki / Stuchebrukhov, Alexei A. et al. | 2011
- 5365
-
Separating Homogeneous and Inhomogeneous Line Widths of Heavy- and Light-Hole Excitons in Weakly Disordered Semiconductor Quantum WellsBristow, Alan D. / Zhang, Tianhao / Siemens, Mark E. / Cundiff, Steven T. / Mirin, R. P. et al. | 2011
- 5372
-
Probing Interband Coulomb Interactions in Semiconductor Nanostructures with 2D Double-Quantum Coherence SpectroscopyVelizhanin, Kirill A. / Piryatinski, Andrei et al. | 2011
- 5383
-
High Frequency Vibrational Modulations in Two-Dimensional Electronic Spectra and Their Resemblance to Electronic Coherence SignaturesChristensson, N. / Milota, F. / Hauer, J. / Sperling, J. / Bixner, O. / Nemeth, A. / Kauffmann, H. F. et al. | 2011
- 5392
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Modeling the Vibrational Dynamics and Nonlinear Infrared Spectra of Coupled Amide I and II Modes in PeptidesDijkstra, Arend G. / Jansen, Thomas la Cour / Knoester, Jasper et al. | 2011
- 5402
-
Nonadiabatic Excited-State Molecular Dynamics Modeling of Photoinduced Dynamics in Conjugated MoleculesNelson, Tammie / Fernandez-Alberti, Sebastian / Chernyak, Vladimir / Roitberg, Adrian E. / Tretiak, Sergei et al. | 2011
- 5415
-
Simulating the T-Jump-Triggered Unfolding Dynamics of trpzip2 Peptide and Its Time-Resolved IR and Two-Dimensional IR Signals Using the Markov State Model ApproachZhuang, Wei / Cui, Raymond Z. / Silva, Daniel-Adriano / Huang, Xuhui et al. | 2011
- 5425
-
Toward Far-field Vibrational Spectroscopy of Single Molecules at Room TemperatureWinterhalder, M. J. / Zumbusch, A. / Lippitz, M. / Orrit, M. et al. | 2011
- 5431
-
Analysis of 2D CS Spectra for Systems with Non-Gaussian DynamicsRoy, Santanu / Pshenichnikov, Maxim S. / Jansen, Thomas L. C. et al. | 2011
- 5441
-
Nonlocal Effects in the Core Ionization and Auger Spectra of Small Ammonia ClustersKryzhevoi, Nikolai V. / Cederbaum, Lorenz S. et al. | 2011
- 5448
-
Two-Dimensional Terahertz Correlation Spectra of Electronic Excitations in Semiconductor Quantum WellsKuehn, W. / Reimann, K. / Woerner, M. / Elsaesser, T. / Hey, R. et al. | 2011
- 5456
-
Polarization-Angle-Scanning 2DIR Spectroscopy of Coupled Anharmonic Oscillators: A Polarization Null Angle MethodLee, Kyung-Koo / Park, Kwang-Hee / Park, Sungnam / Jeon, Seung-Joon / Cho, Minhaeng et al. | 2011
- 5465
-
Exciton Scattering on Symmetric Branching Centers in Conjugated MoleculesLi, Hao / Wu, Chao / Malinin, Sergey V. / Tretiak, Sergei / Chernyak, Vladimir Y. et al. | 2011
- 5476
-
Electronic Quantum Fluxes during Pericyclic Reactions Exemplified for the Cope Rearrangement of SemibullvaleneAndrae, Dirk / Barth, Ingo / Bredtmann, Timm / Hege, Hans-Christian / Manz, Jörn / Marquardt, Falko / Paulus, Beate et al. | 2011
- 5484
-
Dynamics and Couplings of N−H Stretching Excitations of Guanosine−Cytidine Base Pairs in SolutionYang, Ming / Szyc, Łukasz / Röttger, Katharina / Fidder, Henk / Nibbering, Erik T. J. / Elsaesser, Thomas / Temps, Friedrich et al. | 2011
- 5493
-
Michaelis−Menten Equation and Detailed Balance in Enzymatic NetworksCao, Jianshu et al. | 2011
- 5499
-
Excitation Energy Transfer in a Non-Markovian Dynamical Disordered Environment: Localization, Narrowing, and Transfer EfficiencyChen, Xin / Silbey, Robert J. et al. | 2011
- 5510
-
Floquet Analysis for Vibronically Modulated Electron TunnelingCarias, Horacio / Beratan, David N. / Skourtis, Spiros S. et al. | 2011
- 5519
-
Time-Dependent Current Distributions of a Two-Terminal Carbon Nanotube-Based Electronic DeviceWen, Shizheng / Koo, SiuKong / Yam, ChiYung / Zheng, Xiao / Yan, YiJing / Su, Zhongmin / Fan, Kangnian / Cao, Li / Wang, Wenping / Chen, GuanHua et al. | 2011
- 5526
-
Modeling the Infrared and Circular Dichroism Spectroscopy of a Bridged Cyclic DiamideGaigeot, Marie-Pierre / Besley, Nicholas A. / Hirst, Jonathan D. et al. | 2011
- 5536
-
Quantum Chemical Simulations of Excited-State Absorption Spectra of Photosynthetic Bacterial Reaction Center and Antenna ComplexesLinnanto, J. / Freiberg, A. / Korppi-Tommola, J. et al. | 2011
- 5545
-
A Polarizable Water Model for Intramolecular and Intermolecular Vibrational SpectroscopiesHasegawa, Taisuke / Tanimura, Yoshitaka et al. | 2011
- 5554
-
Impact of Pulse Polarization on Coherent Vibrational Ladder Climbing SignalsNuernberger, Patrick / Vieille, Thibault / Ventalon, Cathie / Joffre, Manuel et al. | 2011
- 5564
-
Multiresonant Coherent Multidimensional Spectroscopy of the Vibrationally Induced Decarboxylation of AOT: Deuterium Oxide Reverse MicellesPenwell, Samuel B. / Wright, John C. et al. | 2011
- 5574
-
Optical Heterodyne-Detected Raman-Induced Kerr Effect (OHD-RIKE) MicroscopyFreudiger, Christian W. / Roeffaers, Maarten B. J. / Zhang, Xu / Saar, Brian G. / Min, Wei / Xie, X. Sunney et al. | 2011
- 5582
-
A Time-Dependent Approach to Electronic Transmission in Model Molecular JunctionsRenaud, N. / Ratner, M. A. / Joachim, C. et al. | 2011
- 5593
-
Supramolecular Organization and Charge Transport Properties of Self-Assembled π−π Stacks of Perylene Diimide DyesIdé, Julien / Méreau, Raphaël / Ducasse, Laurent / Castet, Frédéric / Olivier, Yoann / Martinelli, Nicolas / Cornil, Jérôme / Beljonne, David et al. | 2011
- 5604
-
Collective Hydrogen Bond Reorganization in Water Studied with Temperature-Dependent Ultrafast Infrared SpectroscopyNicodemus, Rebecca A. / Corcelli, S. A. / Skinner, J. L. / Tokmakoff, Andrei et al. | 2011
- 5617
-
New Insights into Response Functions of Liquids by Electric Field-Resolved Polarization Emission Time MeasurementsHershberger, Margaret A. / Moran, Andrew M. / Scherer, Norbert F. et al. | 2011
- 5625
-
Bimolecular Recombination Reactions: Low Pressure Rates in Terms of Time-Dependent Survival Probabilities, Total J Phase Space Sampling of Trajectories, and Comparison with RRKM TheoryGhaderi, N. / Marcus, R. A. et al. | 2011
- 5634
-
Strong Electronic Correlation Effects in Coherent Multidimensional Nonlinear Optical SpectroscopyKaradimitriou, M. E. / Kavousanaki, E. G. / Dani, K. M. / Fromer, N. A. / Perakis, I. E. et al. | 2011
- 5648
-
Optical N-Wave-Mixing Spectroscopy with Strong and Temporally Well-Separated Pulses: The Doorway−Window RepresentationGelin, Maxim F. / Egorova, Dassia / Domcke, Wolfgang et al. | 2011
- 5659
-
UV Resonance Raman Finds Peptide Bond−Arg Side Chain Electronic InteractionsSharma, Bhavya / Asher, Sanford A. et al. | 2011
- 5665
-
Investigation of the Low Frequency Dynamics of Heme Proteins: Native and Mutant Cytochrome P450cam and Redox Partner ComplexesKarunakaran, Venugopal / Denisov, Ilia / Sligar, Stephen G. / Champion, Paul M. et al. | 2011
- 5678
-
Hierarchical Dynamics of Correlated System−Environment Coherence and Optical SpectroscopyZhu, Kun-Bo / Xu, Rui-Xue / Zhang, Hou Yu / Hu, Jie / Yan, Yi Jing et al. | 2011
- 5685
-
π-Conjugation of Two Nitronyl Nitroxides-Attached DiarylethenesYokojima, Satoshi / Kobayashi, Takao / Shinoda, Keiko / Matsuda, Kenji / Higashiguchi, Kenji / Nakamura, Shinichiro et al. | 2011
- 5685
-
π-Conjugation of Two Nitronyl Niroxides-Attached DiarylethenesYokojima, S. / Kobayashi, T. / Shinoda, K. / Matsuda, K. / Higashiguchi, K. / Nakamura, S. et al. | 2011