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There are 14234 results for: content related to: Relationship between local reactivity indices and the hammett constant for isatoic anhydride and its derivatives

  1. Density functional study on electronic structures and reactivity in methyl-substituted chelates used in organic light-emitting diodes

    International Journal of Quantum Chemistry

    Volume 110, Issue 9, 5 August 2010, Pages: 1622–1636, Francisco Núñez-Zarur, Eduardo Arguello and Ricardo Vivas-Reyes

    Article first published online : 22 SEP 2009, DOI: 10.1002/qua.22310

  2. Nucleophilic and Electrophilic Addition and Abstraction

    The Organometallic Chemistry of the Transition Metals, Fourth Edition

    Robert H. Crabtree, Pages: 207–234, 2005

    Published Online : 27 JAN 2005, DOI: 10.1002/0471718769.ch8

  3. A DFT study on the insertion of CO2 into styrene oxide catalyzed by 1-butyl-3-methyl-Imidazolium bromide ionic liquid

    Journal of Computational Chemistry

    Volume 36, Issue 17, June 30, 2015, Pages: 1322–1333, Sandro Marmitt and Paulo F. B. Gonçalves

    Article first published online : 15 MAY 2015, DOI: 10.1002/jcc.23930

  4. Carbanions and Electrophilic Aliphatic Substitution

    Organic Reaction Mechanisms · 2009: An annual survey covering the literature dated January to December 2009

    A. C. Knipe, Pages: 311–334, 2011

    Published Online : 6 DEC 2011, DOI: 10.1002/9781119972471.ch9

  5. Physical Restraints in Geriatric Care

    Scandinavian Journal of Caring Sciences

    Volume 12, Issue 1, March 1998, Pages: 48–56, Stig Karlsson, Gösta Bucht and P. O. Sandman

    Article first published online : 20 MAR 2013, DOI: 10.1111/j.1471-6712.1998.tb00474.x

  6. 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

    Article first published online : 10 JUN 2010, DOI: 10.1002/qua.22619

  7. Imidazoliophosphines are True N-Heterocyclic Carbene (NHC)–Phosphenium Adducts

    Chemistry - A European Journal

    Volume 16, Issue 44, November 22, 2010, Pages: 13095–13108, Ibrahim Abdellah, Dr. Christine Lepetit, Dr. Yves Canac, Carine Duhayon and Prof. Remi Chauvin

    Article first published online : 24 SEP 2010, DOI: 10.1002/chem.201001721

  8. Reaction mechanism of cysteine proteases model compound HSH with diketone inhibitor PhCOCOCH3−nXn, (X = F, Cl, n = 0, 1, 2)

    International Journal of Quantum Chemistry

    Volume 110, Issue 9, 5 August 2010, Pages: 1660–1674, R. Shankar, P. Kolandaivel and K. Senthilkumar

    Article first published online : 22 OCT 2009, DOI: 10.1002/qua.22332

  9. Local and nonlocal density functional calculations of the molecular structure of isomeric thiadiazole monoxides

    International Journal of Quantum Chemistry

    Volume 81, Issue 1, 2001, Pages: 105–115, Daniel Glossman Mitnik and Alfredo Márquez Lucero

    Article first published online : 15 NOV 2000, DOI: 10.1002/1097-461X(2001)81:1<105::AID-QUA12>3.0.CO;2-7

  10. You have full text access to this OnlineOpen article
    Modelling shifts in agroclimate and crop cultivar response under climate change

    Ecology and Evolution

    Volume 3, Issue 12, October 2013, Pages: 4197–4214, Reimund P. Rötter, Jukka Höhn, Mirek Trnka, Stefan Fronzek, Timothy R. Carter and Helena Kahiluoto

    Article first published online : 30 SEP 2013, DOI: 10.1002/ece3.782

  11. A computational study of the carboxylic acid of phloroglucinol in vacuo and in water solution

    International Journal of Quantum Chemistry

    Volume 110, Issue 3, 5 March 2010, Pages: 595–623, Liliana Mammino and Mwadham M. Kabanda

    Article first published online : 8 SEP 2009, DOI: 10.1002/qua.22262

  12. Bond fukui indices: Comparison of frozen molecular orbital and finite differences through mulliken populations

    Journal of Computational Chemistry

    Volume 34, Issue 28, 30 October 2013, Pages: 2421–2429, Patrick Bultinck, Sofie Van Damme and Andrés Cedillo

    Article first published online : 12 AUG 2013, DOI: 10.1002/jcc.23405

  13. Reactivity of Dicoordinated Stannylones (Sn0) versus Stannylenes (SnII): An Investigation Using DFT-Based Reactivity Indices

    ChemPhysChem

    Volume 14, Issue 14, October 7, 2013, Pages: 3233–3247, Lies Broeckaert, Prof. Gernot Frenking, Prof. Paul Geerlings and Prof. Frank De Proft

    Article first published online : 15 AUG 2013, DOI: 10.1002/cphc.201300596

  14. Carbanions and Electrophilic Aliphatic Substitution

    Organic Reaction Mechanisms 1990

    A. C. Knipe, W. E. Watts, Pages: 337–365, 2007

    Published Online : 9 FEB 2007, DOI: 10.1002/9780470066836.ch11

  15. Quantum chemical and electrochemical studies on the corrosion inhibition of aluminium in 1 N HNO3 using 1,2,4-triazine

    Materials and Corrosion

    Volume 64, Issue 7, July 2013, Pages: 625–632, S. John and A. Joseph

    Article first published online : 5 NOV 2012, DOI: 10.1002/maco.201206782

  16. Structure–reactivity relationships for aromatic molecules: electrostatic potentials at nuclei and electrophile affinity indices

    Wiley Interdisciplinary Reviews: Computational Molecular Science

    Volume 3, Issue 1, January/February 2013, Pages: 37–55, Boris Galabov, Sonia Ilieva, Gergana Koleva, Wesley D. Allen, Henry F. Schaefer III and Paul von R. Schleyer

    Article first published online : 8 AUG 2012, DOI: 10.1002/wcms.1112

  17. Atomic charges, dipole moments, and Fukui functions using the Hirshfeld partitioning of the electron density

    Journal of Computational Chemistry

    Volume 23, Issue 12, September 2002, Pages: 1198–1209, F. De Proft, C. Van Alsenoy, A. Peeters, W. Langenaeker and P. Geerlings

    Article first published online : 28 JUN 2002, DOI: 10.1002/jcc.10067

  18. Carbanions and Electrophilic Aliphatic Substitution

    Organic Reaction Mechanisms 1973

    A. R. Butler, M. J. Perkins, Pages: 339–360, 2007

    Published Online : 9 FEB 2007, DOI: 10.1002/9780470067086.ch10

  19. Impact of ketone and amino on the inner shell of guanine

    Journal of Synchrotron Radiation

    Volume 16, Issue 4, July 2009, Pages: 545–552, Quan Zhu, Feng Wang and Elena Ivanova

    DOI: 10.1107/S0909049509017063

  20. A Theoretical Evaluation of the Michael-Acceptor Ability of Conjugated Nitroalkenes

    European Journal of Organic Chemistry

    Volume 2006, Issue 20, October 2006, Pages: 4693–4703, Vishal Rai and Irishi N. N. Namboothiri

    Article first published online : 22 AUG 2006, DOI: 10.1002/ejoc.200600505