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There are 12593 results for: content related to: Computational investigation of the adsorption and reactions of SiH x ( x = 0–4) on TiO 2 anatase (101) and rutile (110) surfaces

  1. Computational study on the reactions of H2O2 on TiO2 anatase (101) and rutile (110) surfaces

    Journal of Computational Chemistry

    Volume 32, Issue 6, 30 April 2011, Pages: 1065–1081, Wen-Fei Huang, P. Raghunath and M. C. Lin

    Version of Record online : 4 NOV 2010, DOI: 10.1002/jcc.21686

  2. Density Functional Theory and Reaction Kinetics Studies of the Water–Gas Shift Reaction on Pt–Re Catalysts


    Volume 5, Issue 12, December 2013, Pages: 3690–3699, Ronald Carrasquillo-Flores, Dr. Jean Marcel R. Gallo, Dr. Konstanze Hahn, Prof. James A. Dumesic and Prof. Manos Mavrikakis

    Version of Record online : 5 NOV 2013, DOI: 10.1002/cctc.201300365

  3. You have free access to this content
    On the Experimental Evidence of Exothermicity in Wood and Biomass Pyrolysis

    Energy Technology

    Volume 5, Issue 1, January 2017, Pages: 19–29, Prof. Colomba Di Blasi, Dr. Carmen Branca and Dr. Antonio Galgano

    Version of Record online : 7 JUL 2016, DOI: 10.1002/ente.201600091

  4. Factors Controlling the Addition of Carbon-Centered Radicals to Alkenes—An Experimental and Theoretical Perspective

    Angewandte Chemie International Edition

    Volume 40, Issue 8, April 17, 2001, Pages: 1340–1371, Hanns Fischer and Leo Radom

    Version of Record online : 17 APR 2001, DOI: 10.1002/1521-3773(20010417)40:8<1340::AID-ANIE1340>3.0.CO;2-#

  5. Ab initio simulations of the structure of thin water layers on defective anatase TiO2(101) surfaces

    International Journal of Quantum Chemistry

    Volume 115, Issue 18, September 15, 2015, Pages: 1250–1257, Ulrich Johannes Aschauer, Antonio Tilocca and Annabella Selloni

    Version of Record online : 20 APR 2015, DOI: 10.1002/qua.24918

  6. You have free access to this content
    Development of the potential energy surface and current stage of the quantum dynamics studies of the F + H2/HD reaction

    International Journal of Quantum Chemistry

    Volume 115, Issue 11, June 5, 2015, Pages: 689–699, Zhigang Sun and Dong H. Zhang

    Version of Record online : 6 MAR 2015, DOI: 10.1002/qua.24895

  7. The Organic Thermochemistry of Hydroxylamines, Oximes, Hydroxamic Acids and their Derivatives

    Standard Article

    Patai's Chemistry of Functional Groups

    Suzanne W. Slayden and Joel F. Liebman

    Published Online : 15 APR 2010, DOI: 10.1002/9780470682531.pat0455

  8. F + H2 [RIGHTWARDS ARROW] FH + H potential energy surface: Construction of the reference configuration state function space and MR-ACPF-2 results

    International Journal of Quantum Chemistry

    Volume 106, Issue 7, 2006, Pages: 1516–1527, Wim Cardoen, Jack Simons and Robert J. Gdanitz

    Version of Record online : 17 JAN 2006, DOI: 10.1002/qua.20935

  9. Tailor-Made Hole-Conducting Coadsorbents for Highly Efficient Organic Dye-Sensitized Solar Cells

    Chemistry - A European Journal

    Volume 19, Issue 46, November 11, 2013, Pages: 15545–15555, In Taek Choi , Dr. Myung Jong Ju , Sang Hyun Song, Sang Gyun Kim, Dr. Dae Won Cho, Prof. Dr. Chan Im and Prof. Dr. Hwan Kyu Kim

    Version of Record online : 23 SEP 2013, DOI: 10.1002/chem.201301658

  10. Oxygen Coordination to the Active Site of Hmd in Relation to [FeFe] Hydrogenase

    European Journal of Inorganic Chemistry

    Volume 2011, Issue 7, March 2011, Pages: 1163–1171, Martin T. Stiebritz, Arndt R. Finkelmann and Markus Reiher

    Version of Record online : 4 FEB 2011, DOI: 10.1002/ejic.201001161

  11. Reactivity of anomeric 1α- and 1β-pentofuranosyl azide derivatives in ammonia chemical ionization

    Rapid Communications in Mass Spectrometry

    Volume 15, Issue 8, 30 April 2001, Pages: 551–562, Bogdan Kralj, Darko Kocjan and Jože Kobe

    Version of Record online : 2 APR 2001, DOI: 10.1002/rcm.267

  12. Atom–Molecule Interactions on Transition Metal Surfaces: A DFT Study of CO and Several Atoms on Rh(100), Pd(100) and Ir(100)


    Volume 7, Issue 5, May 12, 2006, Pages: 1075–1080, Davy L. S. Nieskens, Daniel Curulla-Ferré and J. W. Niemantsverdriet

    Version of Record online : 20 APR 2006, DOI: 10.1002/cphc.200600005

  13. Theoretical Aspects of Compounds Containing Si, Ge, Sn and Pb

    Standard Article

    Patai's Chemistry of Functional Groups

    Miriam Karni, Yitzhak Apeloig, Jürgen Kapp and Paul von R. Schleyer

    Published Online : 15 DEC 2009, DOI: 10.1002/9780470682531.pat0235

  14. Activation of Methane by Os+: Guided-Ion-Beam and Theoretical Studies


    Volume 78, Issue 9, September 2013, Pages: 1157–1173, Prof. P. B. Armentrout, Laura Parke, Dr. Christopher Hinton and Dr. Murat Citir

    Version of Record online : 19 AUG 2013, DOI: 10.1002/cplu.201300147

  15. Combustion Synthesis

    Standard Article

    Handbook of Combustion

    Stefania Specchia, Elisabetta Finocchio, Guido Busca and Vito Specchia

    Published Online : 15 JUL 2010, DOI: 10.1002/9783527628148.hoc088

  16. A thermal expulsion approach to homogeneous large-volume methacrylate monolith preparation; Enabling large-scale rapid purification of biomolecules

    Journal of Applied Polymer Science

    Volume 109, Issue 4, 15 August 2008, Pages: 2426–2433, Michael K. Danquah, Jenny Ho and Gareth M. Forde

    Version of Record online : 7 MAY 2008, DOI: 10.1002/app.28346

  17. Novel analytical method for the crosslinking process: Infrared thermographic analysis of the thermally latent cationic polymerization of a spiroorthoester and a bifunctional oxetane for the construction of a low-shrinkage curing system

    Journal of Polymer Science Part A: Polymer Chemistry

    Volume 45, Issue 13, 1 July 2007, Pages: 2820–2826, Bungo Ochiai, Tomomi Nagasawa, Yasuhiro Asano, Daisuke Nagai, Atsushi Sudo and Takeshi Endo

    Version of Record online : 18 MAY 2007, DOI: 10.1002/pola.22038

  18. Dinitrogen Activation by Fryzuk’s [Nb(P2N2)] Complex and Comparison with the Laplaza–Cummins [Mo{N(R)Ar}3] and Schrock [Mo(N3N)] Systems

    Chemistry - A European Journal

    Volume 15, Issue 42, October 26, 2009, Pages: 11373–11383, Gemma J. Christian, Richard N. L. Terrett, Robert Stranger, Germán Cavigliasso and Brian F. Yates

    Version of Record online : 11 SEP 2009, DOI: 10.1002/chem.200900539

  19. Multi-Objective Genetic Algorithms and Genetic Programming Models for Minimizing Input Carbon Rates in a Blast Furnace Compared with a Conventional Analytic Approach

    steel research international

    Volume 85, Issue 2, February 2014, Pages: 219–232, Rajesh Jha, Prodip Kumar Sen and Nirupam Chakraborti

    Version of Record online : 3 SEP 2013, DOI: 10.1002/srin.201300074

  20. Hexylthiophene-Featured D–A–π–A Structural Indoline Chromophores for Coadsorbent-Free and Panchromatic Dye-Sensitized Solar Cells

    Advanced Energy Materials

    Volume 2, Issue 1, January, 2012, Pages: 149–156, Yongzhen Wu, Xi Zhang, Wenqin Li, Zhong-Sheng Wang, He Tian and Weihong Zhu

    Version of Record online : 11 JAN 2012, DOI: 10.1002/aenm.201100341