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There are 18733 results for: content related to: The effect of structure and phase transformation on the mechanical properties of Re 2 N and the stability of Mn 2 N

  1. An automated approach for the parameterization of accurate intermolecular force-fields: Pyridine as a case study

    Journal of Computational Chemistry

    Volume 33, Issue 10, 15 April 2012, Pages: 1055–1067, Ivo Cacelli, Antonella Cimoli, Paolo Roberto Livotto and Giacomo Prampolini

    Article first published online : 16 FEB 2012, DOI: 10.1002/jcc.22937

  2. Reference energy extremal optimization: A stochastic search algorithm applied to computational protein design

    Journal of Computational Chemistry

    Volume 29, Issue 11, August 2008, Pages: 1762–1771, Naigong Zhang and Chen Zeng

    Article first published online : 19 MAR 2008, DOI: 10.1002/jcc.20937

  3. Rhenium: Organometallic Chemistry

    Standard Article

    Encyclopedia of Inorganic and Bioinorganic Chemistry

    Carlos C. Romão

    Published Online : 15 DEC 2011, DOI: 10.1002/9781119951438.eibc0189

  4. Advances in Anion Supramolecular Chemistry: From Recognition to Chemical Applications

    Angewandte Chemie International Edition

    Volume 53, Issue 44, October 27, 2014, Pages: 11716–11754, Dr. Nicholas H. Evans and Prof. Paul D. Beer

    Article first published online : 9 SEP 2014, DOI: 10.1002/anie.201309937

  5. Mechanical Property and Oxidation Behavior of Self-Reinforced Si3N4 Doped with Re2O3 (Re=Yb, Lu)

    Journal of the American Ceramic Society

    Volume 89, Issue 5, May 2006, Pages: 1730–1732, Xuguang Tong, Jianbao Li, Xiaozhan Yang, Hong Lin, Gangfeng Guo and Mingsheng He

    Article first published online : 14 MAR 2006, DOI: 10.1111/j.1551-2916.2006.00937.x

  6. Thermodynamics of chemical reactions with COSMO-RS: The extreme case of charge separation or recombination

    Journal of Computational Chemistry

    Volume 33, Issue 14, 30 May 2012, Pages: 1304–1320, Peter Deglmann and Stephan Schenk

    Article first published online : 20 MAR 2012, DOI: 10.1002/jcc.22961

  7. Rhenium: Organometallic Chemistry

    Standard Article

    Encyclopedia of Inorganic Chemistry

    Carlos C. Romão

    Published Online : 15 MAR 2006, DOI: 10.1002/0470862106.ia205

  8. (R-and (S)-7,7′-Bis(diphenylphosphino)-2,2′,3,3′-tetrahydro-1,1′-spirobiindene

    Standard Article

    e-EROS Encyclopedia of Reagents for Organic Synthesis

    Qi-Lin Zhou

    Published Online : 15 SEP 2008, DOI: 10.1002/047084289X.rn00937

  9. Elastic and electronic properties of hexagonal rhenium sub-nitrides Re3N and Re2N in comparison with hcp-Re and wurtzite-like rhenium mononitride ReN

    physica status solidi (b)

    Volume 248, Issue 6, June 2011, Pages: 1369–1374, Vyacheslav V. Bannikov, Igor R. Shein and Alexander L. Ivanovskii

    Article first published online : 27 JAN 2011, DOI: 10.1002/pssb.201046564

  10. Chemical graph theory and n-center electron delocalization indices: A study on polycyclic aromatic hydrocarbons

    Journal of Computational Chemistry

    Volume 28, Issue 10, 30 July 2007, Pages: 1625–1633, Marcos Mandado, María J. González-Moa and Ricardo A. Mosquera

    Article first published online : 6 MAR 2007, DOI: 10.1002/jcc.20647

  11. Phase stability and mechanical properties of rhenium borides by first-principles calculations

    Journal of Computational Chemistry

    Volume 31, Issue 9, 15 July 2010, Pages: 1904–1910, Erjun Zhao, Jinping Wang, Jian Meng and Zhijian Wu

    Article first published online : 13 JAN 2010, DOI: 10.1002/jcc.21477

  12. Photoluminescence Properties of Novel Host-Sensitized Y6WO12:Dy3+ Phosphors

    Journal of the American Ceramic Society

    Volume 97, Issue 7, July 2014, Pages: 2170–2176, Ruijin Yu, Dong Soo Shin, Kiwan Jang, Yue Guo, Hyeon Mi Noh, Byung Kee Moon, Byung Chun Choi, Jung Hyun Jeong and Soung Soo Yi

    Article first published online : 16 APR 2014, DOI: 10.1111/jace.12937

  13. Isolation of Rhenium and ReOx Species within ZSM5 Channels and their Catalytic Function in the Activation of Alkanes and Alkanols

    Chemistry - A European Journal

    Volume 13, Issue 11, April 5, 2007, Pages: 3048–3057, Howard S. Lacheen, Paul J. Cordeiro and Enrique Iglesia

    Article first published online : 26 FEB 2007, DOI: 10.1002/chem.200601602

  14. Supramolekulare Chemie von Anionen: von der Erkennung zur chemischen Anwendung

    Angewandte Chemie

    Volume 126, Issue 44, October 27, 2014, Pages: 11908–11948, Dr. Nicholas H. Evans and Prof. Paul D. Beer

    Article first published online : 9 SEP 2014, DOI: 10.1002/ange.201309937

  15. Accurate estimation of solvation free energy using polynomial fitting techniques

    Journal of Computational Chemistry

    Volume 32, Issue 1, 15 January 2011, Pages: 134–141, Conrad Shyu and F. Marty Ytreberg

    Article first published online : 17 NOV 2010, DOI: 10.1002/jcc.21609

  16. Framework-based design of a new all-purpose molecular simulation application: The Adun simulator

    Journal of Computational Chemistry

    Volume 26, Issue 15, 30 November 2005, Pages: 1647–1659, Michael A. Johnston, Ignacio Fdez. Galván and Jordi Villà-Freixa

    Article first published online : 20 SEP 2005, DOI: 10.1002/jcc.20312

  17. Solving the low dimensional Smoluchowski equation with a singular value basis set

    Journal of Computational Chemistry

    Volume 31, Issue 13, October 2010, Pages: 2428–2433, Gregory Scott and Martin Gruebele

    Article first published online : 16 APR 2010, DOI: 10.1002/jcc.21535

  18. Novel graph distance matrix

    Journal of Computational Chemistry

    Volume 31, Issue 9, 15 July 2010, Pages: 1832–1841, Milan Randić, Tomaž Pisanski, Marjana Novič and Dejan Plavšić

    Article first published online : 17 MAR 2010, DOI: 10.1002/jcc.21461

  19. Rapid estimation of activation enthalpies for cytochrome-P450-mediated hydroxylations

    Journal of Computational Chemistry

    Volume 32, Issue 4, March 2011, Pages: 639–657, Arthur N. Mayeno, Jonathan L. Robinson and Brad Reisfeld

    Article first published online : 5 OCT 2010, DOI: 10.1002/jcc.21649

  20. Efficiency and accuracy of the elongation method as applied to the electronic structures of large systems

    Journal of Computational Chemistry

    Volume 27, Issue 13, October 2006, Pages: 1603–1619, Marcin Makowski, Jacek Korchowiec, Feng Long Gu and Yuriko Aoki

    Article first published online : 25 JUL 2006, DOI: 10.1002/jcc.20466