Quantum Yields and Reaction Times of Photochromic Diarylethenes: Nonadiabatic Ab Initio Molecular Dynamics for Normal- and Inverse-Type (Unknown)
- New search for: Wiebeler, Christian
- New search for: Schumacher, Stefan
- New search for: Wiebeler, Christian
- New search for: Schumacher, Stefan
In:
The Journal of Physical Chemistry A
;
118
, 36
;
7816-7823
;
2014
- Article (Journal) / Electronic Resource
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Title:Quantum Yields and Reaction Times of Photochromic Diarylethenes: Nonadiabatic Ab Initio Molecular Dynamics for Normal- and Inverse-Type
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Additional title:J. Phys. Chem. A
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Contributors:Wiebeler, Christian ( author ) / Schumacher, Stefan ( author )
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Published in:The Journal of Physical Chemistry A ; 118, 36 ; 7816-7823
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Publisher:
- New search for: American Chemical Society
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Publication date:2014-09-11
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ISSN:
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Coden:
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DOI:
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Type of media:Article (Journal)
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Type of material:Electronic Resource
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Language:Unknown
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Source:
Table of contents – Volume 118, Issue 36
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.
- 7623
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Density-Based Partitioning Methods for Ground-State Molecular CalculationsNafziger, Jonathan / Wasserman, Adam et al. | 2014
- 7640
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Reactions of Atomic Hydrogen with Formic Acid and Carbon Monoxide in Solid Parahydrogen I: Anomalous Effect of TemperaturePaulson, Leif O. / Mutunga, Fredrick M. / Follett, Shelby E. / Anderson, David T. et al. | 2014
- 7653
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Reactions of Atomic Hydrogen with Formic Acid and Carbon Monoxide in Solid Parahydrogen II: Deuterated Reaction StudiesWonderly, William R. / Anderson, David T. et al. | 2014
- 7663
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Effect of Hydration on the Kinetics of Proton-Bound Dimer Formation: Experimental and Theoretical StudyValadbeigi, Younes / Farrokhpour, Hossein / Tabrizchi, Mahmoud et al. | 2014
- 7672
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Graph Theoretical Analysis on the Kinetic Rate Equations of Linear Chain and Cyclic Reaction NetworksKarmakar, Somnath / Mandal, Bholanath et al. | 2014
- 7683
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Mechanochemistry: The Effect of DynamicsSmalø, Hans S. / Rybkin, Vladimir V. / Klopper, Wim / Helgaker, Trygve / Uggerud, Einar et al. | 2014
- 7695
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Reactivity of Cl Atom with Triple-Bonded Molecules. An Experimental and Theoretical Study with AlcoholsAlwe, H. D. / Sharma, A. / Walavalkar, M. P. / Dhanya, S. / Naik, P. D. et al. | 2014
- 7707
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Isomerization of cis-1,2-Dimethylcyclohexane in Single-Pulse Shock Tube ExperimentsRosado-Reyes, Claudette M. / Tsang, Wing et al. | 2014
- 7715
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Theoretical Study on Reaction Mechanism of Ground-State Cyano Radical with 1,3-Butadiene: Prospect of Pyridine FormationSun, B. J. / Huang, C. H. / Chen, S. Y. / Chen, S. H. / Kaiser, R. I. / Chang, A. H. H. et al. | 2014
- 7725
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Alternating Metastable/Stable Pattern in the Mercuric Iodide Crystal Formation Outside the Ostwald Rule of StagesAyass, Mahmoud M. / Abi Mansour, Andrew / Al-Ghoul, Mazen et al. | 2014
- 7732
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Kinetic Study of the OH Radical Reaction with PhenylacetyleneAbhinavam Kailasanathan, Ranjith Kumar / Thapa, Juddha / Goulay, Fabien et al. | 2014
- 7742
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Trajectory Study of Energy Transfer and Unimolecular Dissociation of Highly Excited Allyl with ArgonConte, Riccardo / Houston, Paul L. / Bowman, Joel M. et al. | 2014
- 7758
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Collisional Energy Transfer in Highly Excited MoleculesHouston, Paul L. / Conte, Riccardo / Bowman, Joel M. et al. | 2014
- 7776
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Computational Study on the Kinetics and Mechanism of the Carbaryl + OH ReactionZavala-Oseguera, Claudia / Galano, Annia / Merino, Gabriel et al. | 2014
- 7782
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Intramolecular Charge Transfer of Push–Pull Pyridinium Salts in the Triplet ManifoldCarlotti, Benedetta / Consiglio, Giuseppe / Elisei, Fausto / Fortuna, Cosimo G. / Mazzucato, Ugo / Spalletti, Anna et al. | 2014
- 7788
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Photoinduced Oxidation of Water in the Pyridine–Water Complex: Comparison of the Singlet and Triplet PhotochemistriesLiu, Xiaojun / Sobolewski, Andrzej L. / Domcke, Wolfgang et al. | 2014
- 7796
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Long-Range Chemical Sensitivity in the Sulfur K‑Edge X‑ray Absorption Spectra of Substituted ThiophenesGeorge, Graham N. / Hackett, Mark J. / Sansone, Michael / Gorbaty, Martin L. / Kelemen, Simon R. / Prince, Roger C. / Harris, Hugh H. / Pickering, Ingrid J. et al. | 2014
- 7803
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Core Excitation, Specific Dissociation, and the Effect of the Size of Aromatic Molecules Connected to Oxygen: Phenyl Ether and 1,3-DiphenoxybenzeneLin, Yi-Shiue / Lin, Shu-Yu / Lee, Yuan T. / Tseng, Chien-Ming / Ni, Chi-Kung / Liu, Chen-Lin / Tsai, Cheng-Cheng / Chen, Jien-Lian / Hu, Wei-Ping et al. | 2014
- 7816
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Quantum Yields and Reaction Times of Photochromic Diarylethenes: Nonadiabatic Ab Initio Molecular Dynamics for Normal- and Inverse-TypeWiebeler, Christian / Schumacher, Stefan et al. | 2014
- 7824
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Photodissociation of Pyrene Cations: Structure and Energetics from C16H10 + to C14 + and Almost Everything in BetweenWest, Brandi / Useli-Bacchitta, Francesca / Sabbah, Hassan / Blanchet, Valérie / Bodi, Andras / Mayer, Paul M. / Joblin, Christine et al. | 2014
- 7832
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Tracking of Azobenzene Isomerization by X‑ray Emission SpectroscopyEbadi, H. et al. | 2014
- 7838
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Formation of Bare UO2 2+ and NUO+ by Fragmentation of Gas-Phase Uranyl–Acetonitrile ComplexesVan Stipdonk, Michael J. / Michelini, Maria del Carmen / Plaviak, Alexandra / Martin, Dean / Gibson, John K. et al. | 2014
- 7847
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Quantum Chemistry Guide to PTRMS Studies of As-Yet Undetected Products of the Bromine-Atom Initiated Oxidation of Gaseous Elemental MercuryDibble, Theodore S. / Zelie, Matthew J. / Jiao, Yuge et al. | 2014
- 7855
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Structure, Stability, and Spectroscopic Properties of H‑Bonded Complexes of HOSO and CH3SO with H2OLesar, Antonija / Tušar, Simona et al. | 2014
- 7863
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Relativistic and Electron-Correlation Effects on the Nuclear Magnetic Resonance Shieldings of Molecules Containing Tin and Lead AtomsMaldonado, Alejandro F. / Aucar, Gustavo A. et al. | 2014
- 7876
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Comprehensive Analysis of Energy Minima of the 20 Natural Amino AcidsYuan, Yongna / Mills, Matthew J. L. / Popelier, Paul L. A. / Jensen, Frank et al. | 2014
- 7892
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Molecular Interaction of Pinic Acid with Sulfuric Acid: Exploring the Thermodynamic Landscape of Cluster GrowthElm, Jonas / Kurtén, Theo / Bilde, Merete / Mikkelsen, Kurt V. et al. | 2014
- 7901
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Analysis of CF···FC Interactions on Cyclohexane and Naphthalene FrameworksCormanich, Rodrigo A. / Rittner, Roberto / O’Hagan, David / Bühl, Michael et al. | 2014
- 7911
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Distribution of Topologically Distinct Isomers of Water Clusters and Dipole Moments of Constituent Water Molecules at Finite Atmospheric TemperaturesAkase, Dai / Aida, Misako et al. | 2014
- 7925
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Cyclic and Acyclic Fructose Conformers in the Gas Phase: A Large-Scale Second-Order Perturbation Theory StudySzczepaniak, Marek / Moc, Jerzy et al. | 2014
- 7939
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Design and Computational Characterization of Non-Fullerene Acceptors for Use in Solution-Processable Solar CellsRutledge, Lesley R. / McAfee, Seth M. / Welch, Gregory C. et al. | 2014
- 7952
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207Pb and 119Sn Solid-State NMR and Relativistic Density Functional Theory Studies of the Historic Pigment Lead–Tin Yellow Type I and Its Reactivity in Oil PaintingsCatalano, Jaclyn / Murphy, Anna / Yao, Yao / Alkan, Fahri / Zumbulyadis, Nicholas / Centeno, Silvia A. / Dybowski, Cecil et al. | 2014
- 7959
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Theoretical Study of the Hydration of Atmospheric Nucleation Precursors with Acetic AcidZhu, Yu-Peng / Liu, Yi-Rong / Huang, Teng / Jiang, Shuai / Xu, Kang-Ming / Wen, Hui / Zhang, Wei-Jun / Huang, Wei et al. | 2014
- 7975
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The Formic Acid–Nitric Acid Complex: Microwave Spectrum, Structure, and Proton TransferMackenzie, Rebecca B. / Dewberry, Christopher T. / Leopold, Kenneth R. et al. | 2014
- 7986
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Elucidating the Ring Inversion Mechanism(s) for BiscalixarenesMurphy, Paul / Dalgarno, Scott J. / Paterson, Martin J. et al. | 2014
- 8002
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Unexpected Primary Reactions for Thermolysis of 1,1-Diamino-2,2-dinitroethylene (FOX-7) Revealed by ab Initio CalculationsKiselev, Vitaly G. / Gritsan, Nina P. et al. | 2014
- 8009
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Correction and Addition to “Vibrational Anharmonicities and Reactivity of Tetrafluoroethylene”Fuß, Werner / Robertson, Evan G. / Medcraft, Chris / Appadoo, Dominique R. T. et al. | 2014