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There are 78138 results for: content related to: Catalytic Asymmetric Intermolecular Stetter Reactions of Enolizable Aldehydes with Nitrostyrenes: Computational Study Provides Insight into the Success of the Catalyst

  1. Catalytic Asymmetric Intermolecular Stetter Reactions of Enolizable Aldehydes with Nitrostyrenes: Computational Study Provides Insight into the Success of the Catalyst

    Angewandte Chemie

    Volume 124, Issue 10, March 5, 2012, Pages: 2441–2444, Daniel A. DiRocco, Elizabeth L. Noey, Prof. K. N. Houk and Prof. Tomislav Rovis

    Article first published online : 26 JAN 2012, DOI: 10.1002/ange.201107597

  2. Energy gradients in combined fragment molecular orbital and polarizable continuum model (FMO/PCM) calculation

    Journal of Computational Chemistry

    Volume 31, Issue 4, March 2010, Pages: 778–790, Hui Li, Dmitri G. Fedorov, Takeshi Nagata, Kazuo Kitaura, Jan H. Jensen and Mark S. Gordon

    Article first published online : 30 JUN 2009, DOI: 10.1002/jcc.21363

  3. A fast low-density parity-check code simulator based on compressed parity-check matrices

    Wireless Communications and Mobile Computing

    Volume 13, Issue 7, May 2013, Pages: 663–670, Shek F. Yau, Tan L. Wong, Francis C. M. Lau and Yejun He

    Article first published online : 31 MAR 2011, DOI: 10.1002/wcm.1129

  4. Comparative theoretical investigation of the formation of DNA interstrand crosslinks induced by two kinds of N-nitroso compounds: nitrosoureas and nitrosamines

    Journal of Physical Organic Chemistry

    Volume 25, Issue 12, December 2012, Pages: 1153–1167, Lijiao Zhao, Xinyan Ma and Rugang Zhong

    Article first published online : 12 JUN 2012, DOI: 10.1002/poc.2970

  5. Unearthing the Mechanism of Prebiotic Nitrile Bond Reduction in Hydrogen Cyanide through a Curious Association of Two Molecular Radical Anions

    Chemistry - A European Journal

    Volume 20, Issue 21, May 19, 2014, Pages: 6348–6357, Ambar Banerjee, Gaurab Ganguly, Ravi Tripathi, Dr. Nisanth N. Nair and Dr. Ankan Paul

    Article first published online : 8 APR 2014, DOI: 10.1002/chem.201304627

  6. Cross-Polarization Confocal Imaging of Subsurface Flaws in Silicon Nitride

    International Journal of Applied Ceramic Technology

    Volume 8, Issue 2, March 2011, Pages: 411–422, Zunping Liu, Jiangang Sun and Zhijian Pei

    Article first published online : 11 SEP 2009, DOI: 10.1111/j.1744-7402.2009.02446.x

  7. Ligand-Exchange Processes on Solvated Beryllium Cations. Part III

    Helvetica Chimica Acta

    Volume 91, Issue 6, June 2008, Pages: 1063–1071, Ralph Puchta and Rudi van Eldik

    Article first published online : 10 JUL 2008, DOI: 10.1002/hlca.200890114

  8. Basis set dependence of phosphate frequencies in density functional theory calculations

    International Journal of Quantum Chemistry

    Volume 112, Issue 11, 5 June 2012, Pages: 2435–2439, Maria Rudbeck

    Article first published online : 20 OCT 2011, DOI: 10.1002/qua.23182

  9. A density functional theory investigation on the formation mechanisms of DNA interstrand crosslinks induced by chloroethylnitrosoureas

    International Journal of Quantum Chemistry

    Volume 113, Issue 9, 5 May 2013, Pages: 1299–1306, Li-Jiao Zhao, Xin-Yan Ma and Ru-Gang Zhong

    Article first published online : 16 JUL 2012, DOI: 10.1002/qua.24283

  10. Adjustable thermal property of polyethylene glycol/diatomite shape-stabilized composite phase change material

    Polymer Composites

    Tingting Qian, Jinhong Li, Hongwen Ma and Jing Yang

    Article first published online : 18 SEP 2014, DOI: 10.1002/pc.23243

  11. Activation barriers for DNA alkylation by carcinogenic methane diazonium ions

    Journal of Computational Chemistry

    Volume 27, Issue 3, February 2006, Pages: 277–286, Kaushalya S. Ekanayake and Pierre R. Lebreton

    Article first published online : 7 DEC 2005, DOI: 10.1002/jcc.20334

  12. Experimentation with different thermodynamic cycles used for pKa calculations on carboxylic acids using complete basis set and Gaussian-n models combined with CPCM continuum solvation methods

    International Journal of Quantum Chemistry

    Volume 85, Issue 6, 2001, Pages: 727–741, Matthew D. Liptak and George C. Shields

    Article first published online : 18 SEP 2001, DOI: 10.1002/qua.1703

  13. N-Heterocyclic Carbene Catalyzed Domino Reactions

    Angewandte Chemie International Edition

    Volume 51, Issue 2, January 9, 2012, Pages: 314–325, Dipl.-Chem. André Grossmann and Prof. Dr. Dieter Enders

    Article first published online : 25 NOV 2011, DOI: 10.1002/anie.201105415

  14. Mechanistic Studies on Water-Exchange Reactions in [Zn(H2O)4L]2+·2H2O for L = sp2, sp3 Oxygen-Donor Ligands: A DFT Approach

    European Journal of Inorganic Chemistry

    Volume 2013, Issue 12, April 2013, Pages: 2059–2069, Basam M. Alzoubi, Markus Walther, Ralph Puchta and Rudi van Eldik

    Article first published online : 20 FEB 2013, DOI: 10.1002/ejic.201200956

  15. The cancer psychosocial care matrix: a community-derived evaluative tool for designing quality psychosocial cancer care delivery

    Psycho-Oncology

    Volume 22, Issue 9, September 2013, Pages: 1953–1962, Laura P. Forsythe, Julia H. Rowland, Lynne Padgett, Karyl Blaseg, Scott D. Siegel, Chad M. Dingman and Theresa A. Gillis

    Article first published online : 25 FEB 2013, DOI: 10.1002/pon.3254

  16. Comparative assessment of computational methods for the determination of solvation free energies in alcohol-based molecules

    Journal of Computational Chemistry

    Volume 34, Issue 15, 5 June 2013, Pages: 1354–1362, Silvia A. Martins and Sergio F. Sousa

    Article first published online : 1 MAR 2013, DOI: 10.1002/jcc.23264

  17. Copper(II)-Mediated Aromatic ortho-Hydroxylation: A Hybrid DFT and Ab Initio Exploration

    Chemistry - A European Journal

    Volume 14, Issue 1, December 28, 2007, Pages: 344–357, Peter Comba, Stefan Knoppe, Bodo Martin, Gopalan Rajaraman, Claudio Rolli, Brett Shapiro and Timon Stork

    Article first published online : 28 SEP 2007, DOI: 10.1002/chem.200700865

  18. Three Types of Induced Tryptophan Optical Activity Compared in Model Dipeptides: Theory and Experiment

    ChemPhysChem

    Volume 13, Issue 11, August 6, 2012, Pages: 2748–2760, Jana Hudecová, Jan Horníček, Dr. Miloš Buděšínský, Dr. Jaroslav Šebestík, Martin Šafařík, Ge Zhang, Dr. Timothy A. Keiderling and Dr. Petr Bouř

    Article first published online : 15 JUN 2012, DOI: 10.1002/cphc.201200201

  19. Reactivity of amines with hypochlorous acid: Computational study of steric, electronic, and medium effects

    International Journal of Quantum Chemistry

    Volume 113, Issue 7, 5 April 2013, Pages: 881–890, Tena Tarade and Valerije Vrček

    Article first published online : 13 FEB 2012, DOI: 10.1002/qua.24007

  20. Conformational preferences of N-methoxycarbonyl proline dipeptide

    Journal of Computational Chemistry

    Volume 30, Issue 7, May 2009, Pages: 1116–1127, Young Kee Kang and Nam Sook Kang

    Article first published online : 5 NOV 2008, DOI: 10.1002/jcc.21136