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There are 81940 results for: content related to: Interactions of Aromatic Radicals with Water

  1. The Benzylperoxyl Radical as a Source of Hydroxyl and Phenyl Radicals

    Chemistry - A European Journal

    Volume 20, Issue 40, September 26, 2014, Pages: 12917–12923, Prof. Dr. Wolfram Sander, Dr. Saonli Roy, Kenny Bravo-Rodriguez, Dr. Dirk Grote and Dr. Elsa Sanchez-Garcia

    Version of Record online : 21 AUG 2014, DOI: 10.1002/chem.201402459

  2. Calculations on Open-Shell Molecules: A Beginner's Guide

    Reviews in Computational Chemistry, Volume 13

    Thomas Bally, Weston Thatcher Borden, Pages: 1–97, 2007

    Published Online : 5 JAN 2007, DOI: 10.1002/9780470125908.ch1

  3. Computational study on the recombination reaction between benzyl and propargyl radicals

    International Journal of Chemical Kinetics

    Volume 44, Issue 3, March 2012, Pages: 206–218, Akira Matsugi and Akira Miyoshi

    Version of Record online : 24 JAN 2012, DOI: 10.1002/kin.20625

  4. Matrix Isolation and Spectroscopic Characterization of the Phenylperoxy Radical and Its Rearranged Products

    Chemistry - A European Journal

    Volume 15, Issue 6, January 26, 2009, Pages: 1462–1467, Artur Mardyukov and Wolfram Sander

    Version of Record online : 8 JAN 2009, DOI: 10.1002/chem.200801546

  5. DFT calculations of hyperfine coupling constants of organic π radicals and comparison with empirical equations and experiment

    Magnetic Resonance in Chemistry

    Volume 54, Issue 10, October 2016, Pages: 835–841, Burkhard Kirste

    Version of Record online : 22 JUN 2016, DOI: 10.1002/mrc.4467

  6. Thioformaldehyde S-Methylide and Thioacetone S-Methylide: An Ab Initio MO Study of Structure and Cycloaddition Reactivity

    Chemistry - A European Journal

    Volume 9, Issue 10, May 23, 2003, Pages: 2245–2255, Reiner Sustmann, Willi Sicking and Rolf Huisgen

    Version of Record online : 16 MAY 2003, DOI: 10.1002/chem.200204658

  7. Remote substituent effects on gas-phase homolytic Fe–O and Fe–S bond energies of p-G-C6H4OFe(CO)2(η5-C5H5) and p-G-C6H4SFe(CO)2(η5-C5H5) studied using Hartree–Fock and density functional theory methods

    Journal of Physical Organic Chemistry

    Volume 26, Issue 8, August 2013, Pages: 664–674, Qing Zeng, Zucheng Li, Ling Dong, Daxiong Han, Rufeng Wang, Xiangri Li and Genben Bai

    Version of Record online : 8 JUL 2013, DOI: 10.1002/poc.3152

  8. Evaluating the Thermal Vinylcyclopropane Rearrangement (VCPR) as a Practical Method for the Synthesis of Difluorinated Cyclopentenes: Experimental and Computational Studies of Rearrangement Stereospecificity

    Chemistry - A European Journal

    Volume 20, Issue 44, October 27, 2014, Pages: 14305–14316, David Orr, Prof. Dr. Jonathan M. Percy, Dr. Tell Tuttle, Dr. Alan R. Kennedy and Dr. Zoë A. Harrison 

    Version of Record online : 11 SEP 2014, DOI: 10.1002/chem.201403737

  9. Full geometry optimizations of the mixed-valence CaMn4O4X(H2O)4 (X=OH or O) cluster in OEC of PS II: Degree of symmetry breaking of the labile Mn-X-Mn bond revealed by several hybrid DFT calculations

    International Journal of Quantum Chemistry

    Volume 113, Issue 4, 15 February 2013, Pages: 525–541, K. Yamaguchi, H. Isobe, S. Yamanaka, T. Saito, K. Kanda, M. Shoji, Y. Umena, K. Kawakami, J.-R. Shen, N. Kamiya and M. Okumura

    Version of Record online : 13 APR 2012, DOI: 10.1002/qua.24117

  10. Remote substituent effects on homolytic Fe[BOND]C bond energies of p-G-C6H4CH2Fe(CO)2(η5-C5H5) and p-G-C6H4(H)(CN)CFe(CO)2(η5-C5H5) studied by Hartree–Fock and density functional theory methods

    Journal of Physical Organic Chemistry

    Volume 24, Issue 11, November 2011, Pages: 1058–1066, Qing Zeng and Zucheng Li

    Version of Record online : 11 JAN 2011, DOI: 10.1002/poc.1828

  11. Photochemistry and Reactivity of the Phenyl Radical–Water System: A Matrix Isolation and Computational Study

    Chemistry - A European Journal

    Volume 16, Issue 29, August 2, 2010, Pages: 8679–8689, Artur Mardyukov, Rachel Crespo-Otero, Elsa Sanchez-Garcia and Wolfram Sander

    Version of Record online : 14 JUL 2010, DOI: 10.1002/chem.200903362

  12. Density Functional Studies on Thromboxane Biosynthesis: Mechanism and Role of the Heme-Thiolate System

    Chemistry – An Asian Journal

    Volume 3, Issue 11, November 13, 2008, Pages: 1900–1911, Tetsuya K. Yanai and Seiji Mori

    Version of Record online : 10 OCT 2008, DOI: 10.1002/asia.200800253

  13. The nature of chemical bonds of the CaMn4O5 cluster in oxygen evolving complex of photosystem II: Jahn-Teller distortion and its suppression by Ca doping in cubane structures

    International Journal of Quantum Chemistry

    Volume 113, Issue 4, 15 February 2013, Pages: 453–473, K. Yamaguchi, S. Yamanaka, H. Isobe, T. Saito, K. Kanda, Y. Umena, K. Kawakami, J.-R. Shen, N. Kamiya, M. Okumura, H. Nakamura, M. Shoji and Y. Yoshioka

    Version of Record online : 17 JUL 2012, DOI: 10.1002/qua.24280

  14. Matrix Isolation and IR Characterization of the Benzoyl and Benzoylperoxy Radicals

    European Journal of Organic Chemistry

    Volume 2010, Issue 15, May 2010, Pages: 2904–2909, Artur Mardyukov and Wolfram Sander

    Version of Record online : 14 APR 2010, DOI: 10.1002/ejoc.201000153

  15. Model and Mechanism: N-Hydroxylation of Primary Aromatic Amines by Cytochrome P450

    Angewandte Chemie International Edition

    Volume 52, Issue 2, January 7, 2013, Pages: 744–748, Li Ji and Prof. Dr. Gerrit Schüürmann

    Version of Record online : 21 NOV 2012, DOI: 10.1002/anie.201204116

  16. Structural Diversity from the Transannular Cyclizations of Natural Germacrone and Epoxy Derivatives: A Theoretical–Experimental Study

    Chemistry - A European Journal

    Volume 19, Issue 21, May 17, 2013, Pages: 6598–6612, M. Carmen Pérez Morales, Dr. Julieta V. Catalán, Dr. Victoriano Domingo, Prof. Martín Jaraíz, Dr. M. Mar Herrador, Dr. José F. Quílez del Moral, Prof. José-Luis López-Pérez and Prof. Alejandro F. Barrero

    Version of Record online : 16 APR 2013, DOI: 10.1002/chem.201300662

  17. Matrix Isolation of Radicals

    Standard Article

    Encyclopedia of Radicals in Chemistry, Biology and Materials

    Artur Mardyukov and Wolfram Sander

    Published Online : 15 MAR 2012, DOI: 10.1002/9781119953678.rad010

  18. Hydrogen Transfer in SAM-Mediated Enzymatic Radical Reactions

    Chemistry - A European Journal

    Volume 18, Issue 51, December 14, 2012, Pages: 16463–16472, Johnny Hioe and Prof. Dr. Hendrik Zipse

    Version of Record online : 8 NOV 2012, DOI: 10.1002/chem.201202869

  19. DFT calculations on the allenyl Cope rearrangement of syn-7-allenylnorbornene: comparison with results obtained from CASSCF calculations

    Journal of Physical Organic Chemistry

    Volume 18, Issue 5, May 2005, Pages: 462–467, James A. Duncan and Marie C. Spong

    Version of Record online : 5 OCT 2004, DOI: 10.1002/poc.871

  20. Study of the kinetics and equilibrium of the benzyl-radical association reaction with molecular oxygen

    International Journal of Chemical Kinetics

    Volume 26, Issue 1, January 1994, Pages: 171–189, Frederick F. Fenter, Barbara Nozière, Francoise Caralp and Robert Lesclaux

    Version of Record online : 30 SEP 2004, DOI: 10.1002/kin.550260117