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There are 20932 results for: content related to: Modeling the Impact of Solid Surfaces in Thermal Degradation Processes

  1. First Principles (DFT) Characterization of RhI/dppp-Catalyzed C[BOND]H Activation by Tandem 1,2-Addition/1,4-Rh Shift Reactions of Norbornene to Phenylboronic Acid

    Chemistry - A European Journal

    Volume 20, Issue 47, November 17, 2014, Pages: 15625–15634, Prof. Dr. Eric Assen B. Kantchev , Surya R. Pangestu, Dr. Feng Zhou, Dr. Michael B. Sullivan and Prof. Hai-Bin Su

    Version of Record online : 26 SEP 2014, DOI: 10.1002/chem.201402988

  2. A New Piece in the Puzzle of Lithium/Air Batteries: Computational Study on the Chemical Stability of Propylene Carbonate in the Presence of Lithium Peroxide

    Chemistry - A European Journal

    Volume 18, Issue 12, March 19, 2012, Pages: 3510–3520, Dr. Teodoro Laino and Dr. Alessandro Curioni

    Version of Record online : 22 FEB 2012, DOI: 10.1002/chem.201103057

  3. Pd-Catalyzed Cycloisomerization of 4-Aza-1,6-enynes to 3-Aza-bicyclo[4.1.0]hept-2-enes

    Chemistry - A European Journal

    Volume 20, Issue 29, July 14, 2014, Pages: 9024–9036, Hye Mi Oh, Ji Eun Park, Jisu Kim, Ju Hyun Kim, Prof. Youn K. Kang and Prof. Young Keun Chung

    Version of Record online : 25 JUN 2014, DOI: 10.1002/chem.201402087

  4. Insights into the Mechanism of Reaction of [(C5Me5)2SmII(thf)2] with CO2 and COS by DFT Studies

    Chemistry - A European Journal

    Volume 18, Issue 25, June 18, 2012, Pages: 7886–7895, Ludovic Castro, Stéphanie Labouille, Doug R. Kindra, Dr. Joseph W. Ziller, Dr. Francois Nief, Prof. Dr. William J. Evans and Prof. Dr. Laurent Maron

    Version of Record online : 9 MAY 2012, DOI: 10.1002/chem.201103192

  5. Divergent Pathways and Competitive Mechanisms of Metathesis Reactions between 3-Arylprop-2-ynyl Esters and Aldehydes: An Experimental and Theoretical Study

    Chemistry - A European Journal

    Volume 20, Issue 33, August 11, 2014, Pages: 10360–10370, Dr. Cristina Trujillo, Dr. Goar Sánchez-Sanz , Ieva Karpavičienė, Dr. Ullrich Jahn, Dr. Inga Čikotienė and Dr. Lubomír Rulíšek

    Version of Record online : 10 JUL 2014, DOI: 10.1002/chem.201402551

  6. Mechanistic Intricacies of Gold-Catalyzed Intermolecular Cycloadditions between Allenamides and Dienes

    Chemistry - A European Journal

    Volume 19, Issue 45, November 4, 2013, Pages: 15248–15260, Dr. Sergi Montserrat, Hélio Faustino, Prof. Dr. Agustí Lledós, Prof. Dr. Jose L. Mascareñas, Dr. Fernando López and Dr. Gregori Ujaque

    Version of Record online : 25 SEP 2013, DOI: 10.1002/chem.201302330

  7. Computational Reference Data for the Photochemistry of Cyclobutane Pyrimidine Dimers


    Volume 15, Issue 15, October 20, 2014, Pages: 3342–3354, Dr. Mario Barbatti

    Version of Record online : 17 JUL 2014, DOI: 10.1002/cphc.201402302

  8. The Nature of the Barrier to Phosphane Dissociation from Grubbs Olefin Metathesis Catalysts

    European Journal of Inorganic Chemistry

    Volume 2012, Issue 9, March 2012, Pages: 1507–1516, Yury Minenkov, Giovanni Occhipinti, Wouter Heyndrickx and Vidar R. Jensen

    Version of Record online : 21 DEC 2011, DOI: 10.1002/ejic.201100932

  9. On the Regio- and Stereospecificity of Arachidonic Acid Peroxidation Catalyzed by Mammalian 15-Lypoxygenases: A Combined Molecular Dynamics and QM/MM Study


    Volume 14, Issue 16, November 11, 2013, Pages: 3777–3787, Dr. Reynier Suardíaz, Dr. Laura Masgrau, Prof. Dr. José M. Lluch and Prof. Dr. Àngels González-Lafont

    Version of Record online : 23 SEP 2013, DOI: 10.1002/cphc.201300629

  10. Gold(I)-Catalyzed Unprecedented Rearrangement Reaction Between 2-Aminobenzaldehydes with Propargyl Amines: An Expedient Route to 3-Aminoquinolines

    Chemistry - A European Journal

    Volume 18, Issue 18, April 27, 2012, Pages: 5530–5535, Dr. Nitin T. Patil, Vivek S. Raut, Valmik S. Shinde, Dr. Gaddamanugu Gayatri and Dr. G. Narahari Sastry

    Version of Record online : 20 MAR 2012, DOI: 10.1002/chem.201103668

  11. Analysis of Potential Molecular Catalysts for the Hydroamination of Ethylene with Ammonia: A DFT Study with [Ir(PCP)] and [Ir(PSiP)] Complexes

    Chemistry - A European Journal

    Volume 19, Issue 3, January 14, 2013, Pages: 1020–1027, Andreas Uhe, Dr. Markus Hölscher and Prof. Dr. Walter Leitner

    Version of Record online : 26 NOV 2012, DOI: 10.1002/chem.201202185

  12. Quantum Mechanics/Molecular Mechanics Studies on the Mechanism of Action of Cofactor Pyridoxal 5′-Phosphate in Ornithine 4,5-Aminomutase

    Chemistry - A European Journal

    Volume 20, Issue 36, September 1, 2014, Pages: 11390–11401, Dr. Jiayun Pang, Prof. Nigel S. Scrutton and Prof. Michael J. Sutcliffe

    Version of Record online : 22 JUL 2014, DOI: 10.1002/chem.201402759

  13. Mechanisms for the Breakdown of Halomethanes through Reactions with Ground-State Cyano Radicals


    Volume 16, Issue 1, January 12, 2015, Pages: 181–190, Pooria Farahani, Prof. Satoshi Maeda, Prof. Joseph S. Francisco and Dr. Marcus Lundberg

    Version of Record online : 26 SEP 2014, DOI: 10.1002/cphc.201402601

  14. The Electronic Nature of the 1,4-β-Glycosidic Bond and Its Chemical Environment: DFT Insights into Cellulose Chemistry

    Chemistry - A European Journal

    Volume 19, Issue 48, November 25, 2013, Pages: 16282–16294, Claudia Loerbroks, Dr. Roberto Rinaldi and Prof. Dr. Walter Thiel

    Version of Record online : 18 OCT 2013, DOI: 10.1002/chem.201301366

  15. Isoguanine Formation from Adenine

    Chemistry - A European Journal

    Volume 18, Issue 16, April 16, 2012, Pages: 4877–4886, Dr. Qianyi Cheng, Dr. Jiande Gu, Katherine R. Compaan and Prof. Dr. Henry F. Schaefer III

    Version of Record online : 12 MAR 2012, DOI: 10.1002/chem.201102415

  16. Selective C−H and C−C Bond Activation: Electronic Regimes as a Tool for Designing d10 MLn Catalysts

    Chemistry – An Asian Journal

    Volume 10, Issue 10, October 2015, Pages: 2272–2282, Lando P. Wolters and Prof. Dr. F. Matthias Bickelhaupt

    Version of Record online : 28 JUL 2015, DOI: 10.1002/asia.201500368

  17. Factors that Influence Stereoselectivity in Proline-Catalyzed Mannich Reactions

    Asian Journal of Organic Chemistry

    Volume 2, Issue 1, January 2013, Pages: 85–90, Prof. Waraporn Parasuk and Prof. Vudhichai Parasuk

    Version of Record online : 7 NOV 2012, DOI: 10.1002/ajoc.201200116

  18. New Concepts for Designing d10-M(L)n Catalysts: d Regime, s Regime and Intrinsic Bite-Angle Flexibility

    Chemistry - A European Journal

    Volume 20, Issue 36, September 1, 2014, Pages: 11370–11381, Lando P. Wolters, Dr. Willem-Jan van Zeist and Prof. Dr. F. Matthias Bickelhaupt

    Version of Record online : 31 JUL 2014, DOI: 10.1002/chem.201403237

  19. On the Mechanism of the Palladium-Catalyzed β-Arylation of Ester Enolates

    Chemistry - A European Journal

    Volume 18, Issue 7, February 13, 2012, Pages: 1932–1944, Dr. Paolo Larini, Dr. Christos E. Kefalidis, Dr. Rodolphe Jazzar, Dr. Alice Renaudat, Dr. Eric Clot and Prof. Dr. Olivier Baudoin

    Version of Record online : 13 JAN 2012, DOI: 10.1002/chem.201103153

  20. Theoretical Study of the Oxidation of Histidine by Singlet Oxygen

    Chemistry - A European Journal

    Volume 18, Issue 27, July 2, 2012, Pages: 8437–8447, Jefferson Méndez-Hurtado, Prof. Dr. Ramón López, Prof. Dr. Dimas Suárez and Prof. Dr. María Isabel Menéndez

    Version of Record online : 25 MAY 2012, DOI: 10.1002/chem.201103680