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There are 11930 results for: content related to: Local HSAB rationalization of diels–alder reactions by means of ab initio and ABEEMσπ methods: Stereoselectivity and reaction rate

  1. Elastoplastic and Viscoplastic Deformations in Solids and Structures

    Standard Article

    Encyclopedia of Computational Mechanics

    F. Armero

    Published Online : 15 NOV 2004, DOI: 10.1002/0470091355.ecm029

  2. Complete set of solutions of the generalized Bloch equation

    International Journal of Quantum Chemistry

    Volume 80, Issue 4-5, 2000, Pages: 757–781, K. Kowalski and P. Piecuch

    Version of Record online : 20 OCT 2000, DOI: 10.1002/1097-461X(2000)80:4/5<757::AID-QUA25>3.0.CO;2-A

  3. Lanthanide-to-Lanthanide Energy-Transfer Processes Operating in Discrete Polynuclear Complexes: Can Trivalent Europium Be Used as a Local Structural Probe?

    Chemistry - A European Journal

    Volume 20, Issue 38, September 15, 2014, Pages: 12172–12182, Dr. Amir Zaïm, Dr. Svetlana V. Eliseeva, Dr. Laure Guénée, Dr. Homayoun Nozary, Prof. Dr. Stéphane Petoud and Prof. Dr. Claude Piguet

    Version of Record online : 5 AUG 2014, DOI: 10.1002/chem.201403206

  4. Forced Bonding and QTAIM Deficiencies: A Case Study of the Nature of Interactions in He@Adamantane and the Origin of the High Metastability

    Chemistry - A European Journal

    Volume 19, Issue 33, August 12, 2013, Pages: 10945–10957, Dr. Piotr I. Dem'yanov and Pavel M. Polestshuk

    Version of Record online : 21 JUN 2013, DOI: 10.1002/chem.201300317

  5. Highly Anisotropic Orbitally Dependent Superexchange in Cyano-Bridged Clusters Containing Mn(III) and Mn(II) Ions


    Volume 7, Issue 4, April 10, 2006, Pages: 871–879, Andrew Palii, Sergey M. Ostrovsky, Sophia I. Klokishner, Boris. S. Tsukerblat and Kim R. Dunbar

    Version of Record online : 4 APR 2006, DOI: 10.1002/cphc.200500549

  6. Quantum-phase and information-entropy dynamics of dimers interacting with a single-mode coherent field: The difference between one- and two-exciton models

    International Journal of Quantum Chemistry

    Volume 84, Issue 5, 2001, Pages: 530–545, M. Nakano and K. Yamaguchi

    Version of Record online : 18 JUN 2001, DOI: 10.1002/qua.1407

  7. Coverage for composite event detection in wireless sensor networks

    Wireless Communications and Mobile Computing

    Volume 11, Issue 8, August 2011, Pages: 1168–1181, Yinying Yang, Arny Ambrose and Mihaela Cardei

    Version of Record online : 15 APR 2010, DOI: 10.1002/wcm.907

  8. Thermodynamics of Electrochemical Lithium Storage

    Angewandte Chemie International Edition

    Volume 52, Issue 19, May 3, 2013, Pages: 4998–5026, Prof. Joachim Maier

    Version of Record online : 29 APR 2013, DOI: 10.1002/anie.201205569

  9. Comparison of Thermodynamic Properties of Coarse-Grained and Atomic-Level Simulation Models


    Volume 8, Issue 3, February 19, 2007, Pages: 452–461, Riccardo Baron, Daniel Trzesniak, Alex H. de Vries , Andreas Elsener, Siewert J. Marrink and Wilfred F. van Gunsteren

    Version of Record online : 8 FEB 2007, DOI: 10.1002/cphc.200600658

  10. Insight into Markovnikov regioselectivity rule via molecular face and ABEEM-σπ theory

    International Journal of Quantum Chemistry

    Volume 111, Issue 12, October 2011, Pages: 2778–2787, Yan-Li Ding, Ji-Rong Mu, Chun-Hui Wang and Zhong-Zhi Yang

    Version of Record online : 10 JUN 2010, DOI: 10.1002/qua.22619

  11. Dimension reduction in survival regressions with censored data via an imputed spline approach

    Biometrical Journal

    Volume 53, Issue 3, May 2011, Pages: 426–443, Heng-Hui Lue, Chen-Hsin Chen and Wei-Hwa Chang

    Version of Record online : 15 APR 2011, DOI: 10.1002/bimj.201000168

  12. Valence state parameters of all transition metal atoms in metalloproteins—development of ABEEMσπ fluctuating charge force field

    Journal of Computational Chemistry

    Volume 35, Issue 23, September 5, 2014, Pages: 1690–1706, Zhong-Zhi Yang, Jian-Jiang Wang and Dong-Xia Zhao

    Version of Record online : 9 JUL 2014, DOI: 10.1002/jcc.23676

  13. Electrostatic models of inhibitory activity

    International Journal of Quantum Chemistry

    Volume 83, Issue 3-4, 2001, Pages: 180–192, J. Grembecka, P. Kȩdzierski, W. A. Sokalski and J. Leszczyński

    Version of Record online : 26 APR 2001, DOI: 10.1002/qua.1209

  14. An Electrochemical Effectiveness Model and Its Implication for Performance Loss Due to Electrode Microstructural Degradation in Solid Oxide Fuel Cells

    Fuel Cells

    Volume 16, Issue 5, October, 2016, Pages: 591–599, S. M. Baek, D. Shin, S. Sohn and J. H. Nam

    Version of Record online : 18 JUL 2016, DOI: 10.1002/fuce.201500204

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    Spin in density-functional theory

    International Journal of Quantum Chemistry

    Volume 112, Issue 23, 5 December 2012, Pages: 3661–3684, Christoph R. Jacob and Markus Reiher

    Version of Record online : 22 AUG 2012, DOI: 10.1002/qua.24309

  16. Distributed virtual backbone construction in sensor networks with asymmetric links

    Wireless Communications and Mobile Computing

    Volume 11, Issue 8, August 2011, Pages: 1051–1060, Yingchang Xiang, Kai Xing, Wei Cheng, E. K. Park and Shmuel Rotenstreich

    Version of Record online : 1 JUN 2009, DOI: 10.1002/wcm.810

  17. Phase Behavior of CO2 in Room-Temperature Ionic Liquid 1-Ethyl-3-Ethylimidazolium Acetate


    Volume 13, Issue 7, May 14, 2012, Pages: 1806–1817, Dr. Mark B. Shiflett, Beth A. Elliott, Dr. Steve R. Lustig, Dr. Subramaniam Sabesan, Dr. Manish S. Kelkar and Dr. A. Yokozeki

    Version of Record online : 18 APR 2012, DOI: 10.1002/cphc.201200023

  18. Optimized and parallelized implementation of the electronegativity equalization method and the atom-bond electronegativity equalization method

    Journal of Computational Chemistry

    Volume 27, Issue 3, February 2006, Pages: 396–405, R. Svobodová Vařeková and J. Koča

    Version of Record online : 28 DEC 2005, DOI: 10.1002/jcc.20344

  19. Synthesis, Spectroscopy, Crystal Structure Determination, and Quantum Chemical Calculations of BODIPY Dyes with Increasing Conformational Restriction and Concomitant Red-Shifted Visible Absorption and Fluorescence Spectra

    Chemistry – An Asian Journal

    Volume 5, Issue 9, September 3, 2010, Pages: 2016–2026, Volker Leen, Wenwu Qin, Wensheng Yang, Jie Cui, Chan Xu, Xiaoliang Tang, Weisheng Liu, Koen Robeyns, Luc Van Meervelt, David Beljonne, Roberto Lazzaroni, Claire Tonnelé, Noël Boens and Wim Dehaen

    Version of Record online : 2 AUG 2010, DOI: 10.1002/asia.201000248

  20. Local kinetic energy and local temperature in the density-functional theory of electronic structure

    International Journal of Quantum Chemistry

    Volume 90, Issue 1, 2002, Pages: 309–326, Paul W. Ayers, Robert G. Parr and Agnes Nagy

    Version of Record online : 12 MAR 2002, DOI: 10.1002/qua.989