Organophosphorous ligands in hydrogenase‐inspired iron‐based catalysts: A DFT study on the energetics of metal protonation as a function of P‐atom substitution (English)
- New search for: Rovaletti, Anna
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- New search for: Greco, Claudio
In:
Journal of Physical Organic Chemistry
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31
, 1
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2018
- Article (Journal) / Electronic Resource
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Title:Organophosphorous ligands in hydrogenase‐inspired iron‐based catalysts: A DFT study on the energetics of metal protonation as a function of P‐atom substitution
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Contributors:Rovaletti, Anna ( author ) / Greco, Claudio ( author )
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Published in:
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Publisher:
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Publication date:2018-01-01
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Size:9 pages
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ISSN:
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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:English
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Keywords:
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Source:
Table of contents – Volume 31, Issue 1
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.
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Microwave‐assisted facile synthesis of propargylamine library by robust nitro functionalized cross‐linked polystyrene resin supported Cu NPsSharma, Anuj S. / Kaur, Harjinder / Barot, Nirav et al. | 2018
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Computational design of tetrazolone‐based high‐energy density energetic materials: Property prediction and decomposition mechanismShi, Ying et al. | 2018
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Kinetics and thermochemistry of the unusual [2π + 2σ + 2σ]‐cycloaddition of quadricyclane with some dienophilesKiselev, Vladimir D. / Kornilov, Dmitry A. / Anikin, Oleg V. / Sedov, Igor A. / Konovalov, Alexander I. et al. | 2018
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The mechanism of the reaction between an aziridine and carbon dioxide with no added catalystPhung, Chau / Tantillo, Dean J. / Hein, Jason E. / Pinhas, Allan R. et al. | 2018
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Solvent controlling excited state proton transfer reaction in quinoline/isoquinoline‐pyrazole isomer QP‐I: A theoretical studyYang, Dapeng / Yang, Guang / Zhao, Jinfeng / Song, Nahong / Zheng, Rui / Wang, Yusheng et al. | 2018
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A natural bond orbital analysis of aryl‐substituted polyfluorinated carbanions: negative hyperconjugationSuenaga, Masahiko / Nakata, Kazuhide / Abboud, José‐Luis M. / Mishima, Masaaki et al. | 2018
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Simple method for determining of the isokinetic temperature value for the SNAr reactions in solutionVlasov, Vladislav M. et al. | 2018
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An effective tridental molecular clip for fullerenesDenis, Pablo A. / Kramer, Michael / Lee, Catherine / Yanney, Michael et al. | 2018
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Issue Information| 2018
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Effect of the tether length upon Truce‐Smiles rearrangement reactionsFuss, David / Wu, Yu Qi / Grossi, Michael R. / Hollett, Joshua W. / Wood, Tabitha E. et al. | 2018
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Design and interaction mechanism of ligand targeted with folate receptor α and βWang, C. / Jiang, Y. / Fei, X. / Gu, Y. et al. | 2018
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Mixed micellization study of ibuprofen (sodium salt) and cationic surfactant (conventional as well as gemini)Kumar, Dileep / Rub, Malik Abdul / Azum, Naved / Asiri, Abdullah M. et al. | 2018
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Organophosphorous ligands in hydrogenase‐inspired iron‐based catalysts: A DFT study on the energetics of metal protonation as a function of P‐atom substitutionRovaletti, Anna / Greco, Claudio et al. | 2018
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Reaction pathway and H/D kinetic isotope effects of the triple proton transfer in a 7‐hydroxyquinoline‐methanol complex in the ground state: A computational approachMori, Yukie et al. | 2018