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There are 4493 results for: content related to: The Role of Pendant Amines in the Breaking and Forming of Molecular Hydrogen Catalyzed by Nickel Complexes

  1. Arginine-Containing Ligands Enhance H2 Oxidation Catalyst Performance

    Angewandte Chemie

    Volume 126, Issue 25, June 16, 2014, Pages: 6605–6609, Dr. Arnab Dutta, Dr. John A. S. Roberts and Dr. Wendy J. Shaw

    Version of Record online : 12 MAY 2014, DOI: 10.1002/ange.201402304

  2. Arginine-Containing Ligands Enhance H2 Oxidation Catalyst Performance

    Angewandte Chemie International Edition

    Volume 53, Issue 25, June 16, 2014, Pages: 6487–6491, Dr. Arnab Dutta, Dr. John A. S. Roberts and Dr. Wendy J. Shaw

    Version of Record online : 12 MAY 2014, DOI: 10.1002/anie.201402304

  3. The Role of Solvent and the Outer Coordination Sphere on H2 Oxidation Using [Ni(PCy2NPyz2)2]2+

    European Journal of Inorganic Chemistry

    Volume 2015, Issue 31, November 2015, Pages: 5218–5225, Arnab Dutta, Sheri Lense, John A. S. Roberts, Monte L. Helm and Wendy J. Shaw

    Version of Record online : 16 OCT 2015, DOI: 10.1002/ejic.201500732

  4. Molecular Electrocatalysts for the Oxidation of Hydrogen and the Production of Hydrogen – The Role of Pendant Amines as Proton Relays

    European Journal of Inorganic Chemistry

    Volume 2011, Issue 7, March 2011, Pages: 1017–1027, Daniel L. DuBois and R. Morris Bullock

    Version of Record online : 4 JAN 2011, DOI: 10.1002/ejic.201001081

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    Metadynamics

    Wiley Interdisciplinary Reviews: Computational Molecular Science

    Volume 1, Issue 5, September/October 2011, Pages: 826–843, Alessandro Barducci, Massimiliano Bonomi and Michele Parrinello

    Version of Record online : 18 FEB 2011, DOI: 10.1002/wcms.31

  6. A NiII–Bis(diphosphine)–Hydride Complex Containing Proton Relays – Structural Characterization and Electrocatalytic Studies

    European Journal of Inorganic Chemistry

    Volume 2014, Issue 27, September 2014, Pages: 4611–4618, Parthapratim Das, Ryan M. Stolley, Edwin F. van der Eide and Monte L. Helm

    Version of Record online : 24 JUN 2014, DOI: 10.1002/ejic.201402250

  7. Methanol synthesis on ZnO from molecular dynamics

    physica status solidi (b)

    Volume 250, Issue 6, June 2013, Pages: 1174–1190, Johannes Frenzel, Janos Kiss, Nisanth N. Nair, Bernd Meyer and Dominik Marx

    Version of Record online : 6 MAR 2013, DOI: 10.1002/pssb.201248446

  8. Direct Comparison of the Performance of a Bio-inspired Synthetic Nickel Catalyst and a [NiFe]-Hydrogenase, Both Covalently Attached to Electrodes

    Angewandte Chemie International Edition

    Volume 54, Issue 42, October 12, 2015, Pages: 12303–12307, Patricia Rodriguez-Maciá, Dr. Arnab Dutta, Prof. Wolfgang Lubitz, Dr. Wendy J. Shaw and Dr. Olaf Rüdiger

    Version of Record online : 3 JUL 2015, DOI: 10.1002/anie.201502364

  9. Calculation of free energy landscapes: A histogram reweighted metadynamics approach

    Journal of Computational Chemistry

    Volume 32, Issue 10, 30 July 2011, Pages: 2084–2096, Jens Smiatek and Andreas Heuer

    Version of Record online : 15 APR 2011, DOI: 10.1002/jcc.21790

  10. The Role of a Dipeptide Outer-Coordination Sphere on H2-Production Catalysts: Influence on Catalytic Rates and Electron Transfer

    Chemistry - A European Journal

    Volume 19, Issue 6, February 4, 2013, Pages: 1928–1941, Dr. Matthew L. Reback, M. Sc. Bojana Ginovska-Pangovska, Dr. Ming-Hsun Ho, Dr. Avijita Jain, Dr. Thomas C. Squier, Dr. Simone Raugei, Dr. John A. S. Roberts and Dr. Wendy J. Shaw

    Version of Record online : 11 DEC 2012, DOI: 10.1002/chem.201202849

  11. New advances in metadynamics

    Wiley Interdisciplinary Reviews: Computational Molecular Science

    Volume 2, Issue 5, September/October 2012, Pages: 771–779, Ludovico Sutto, Simone Marsili and Francesco Luigi Gervasio

    Version of Record online : 29 MAR 2012, DOI: 10.1002/wcms.1103

  12. Covalent Attachment of the Water-insoluble Ni(PCy2NPhe2)2 Electrocatalyst to Electrodes Showing Reversible Catalysis in Aqueous Solution

    Electroanalysis

    Patricia Rodríguez-Maciá, Nilusha Priyadarshani, Arnab Dutta, Claudia Weidenthaler, Wolfgang Lubitz, Wendy J. Shaw and Olaf Rüdiger

    Version of Record online : 29 JUL 2016, DOI: 10.1002/elan.201600306

  13. Combined Spectroscopic and Electrochemical Detection of a NiI⋅⋅⋅H[BOND]N Bonding Interaction with Relevance to Electrocatalytic H2 Production

    Chemistry - A European Journal

    Volume 21, Issue 29, July 13, 2015, Pages: 10338–10347, Dr. Amélie Kochem, Dr. Molly O'Hagan, Dr. Eric S. Wiedner and Dr. Maurice van Gastel

    Version of Record online : 3 JUN 2015, DOI: 10.1002/chem.201500954

  14. The description of electronic processes inside proteins from Car–Parrinello molecular dynamics: chemical transformations

    Wiley Interdisciplinary Reviews: Computational Molecular Science

    Volume 3, Issue 4, July/August 2013, Pages: 393–407, Carme Rovira

    Version of Record online : 3 MAY 2013, DOI: 10.1002/wcms.1153

  15. Conformational Analysis of P,N-Containing Eight-Membered Heterocycles and Their Pt/Ni Complexes in Solution

    European Journal of Inorganic Chemistry

    Volume 2016, Issue 7, March 2016, Pages: 1068–1084, Shamil Latypov, Anna Strelnik, Anna Balueva, Yulia Spiridonova, Andrey Karasik and Oleg Sinyashin

    Version of Record online : 5 FEB 2016, DOI: 10.1002/ejic.201501331

  16. Novel Carbons: Habits and Oddities

    Zeitschrift für anorganische und allgemeine Chemie

    Volume 640, Issue 5, April 2014, Pages: 681–688, Salah Eddine Boulfelfel, Daniele Selli and Stefano Leoni

    Version of Record online : 31 JAN 2014, DOI: 10.1002/zaac.201300652

  17. Simulation of Structural Phase Transitions in Crystals: The Metadynamics Approach

    Modern Methods of Crystal Structure Prediction

    Artem R. Oganov, Pages: 107–130, 2010

    Published Online : 25 NOV 2010, DOI: 10.1002/9783527632831.ch5

  18. Electrocatalytic Oxidation of Formate with Nickel Diphosphine Dipeptide Complexes: Effect of Ligands Modified with Amino Acids

    European Journal of Inorganic Chemistry

    Volume 2013, Issue 30, October 2013, Pages: 5366–5371, Brandon R. Galan, Matthew L. Reback, Avijita Jain, Aaron M. Appel and Wendy J. Shaw

    Version of Record online : 3 SEP 2013, DOI: 10.1002/ejic.201300751

  19. A chirality-based metrics for free-energy calculations in biomolecular systems

    Journal of Computational Chemistry

    Volume 32, Issue 12, September 2011, Pages: 2627–2637, Adriana Pietropaolo, Davide Branduardi, Massimiliano Bonomi and Michele Parrinello

    Version of Record online : 8 JUN 2011, DOI: 10.1002/jcc.21842

  20. Trinuclear Half-Sandwich RuII, RhIII and IrIII Polyester Organometallic Complexes: Synthesis and in vitro Evaluation as Antitumor Agents

    European Journal of Inorganic Chemistry

    Volume 2015, Issue 8, March 2015, Pages: 1433–1444, Andrew R. Burgoyne, Banothile C. E. Makhubela, Mervin Meyer and Gregory S. Smith

    Version of Record online : 11 FEB 2015, DOI: 10.1002/ejic.201403192