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There are 13881 results for: content related to: Theoretical study of enantiomeric and geometric control in chiral guanidine-catalyzed asymmetric 1,4-addition of 5 H -oxazol-4-ones

  1. Intermolecular interactions in uracil–nitrous acid complexes: structures, binding energy, topological properties, and nuclear magnetic resonance study

    International Journal of Quantum Chemistry

    Volume 113, Issue 21, 5 November 2013, Pages: 2361–2371, Batoul Makiabadi, Mohammad Zakarianejad, Sotoodeh Bagheri, Hamid Reza Masoodi and Raziyeh Sadaat Aghaie

    Version of Record online : 13 MAY 2013, DOI: 10.1002/qua.24461

  2. On the van der Waals interactions and the stability of polypeptide chains in helical conformations

    International Journal of Quantum Chemistry

    Volume 115, Issue 22, November 15, 2015, Pages: 1613–1620, Jorge Nochebuena, Ana Ramírez and Joel Ireta

    Version of Record online : 19 AUG 2015, DOI: 10.1002/qua.24993

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    Effects of melt depletion on the density and seismic velocity of garnet and spinel lherzolite

    Journal of Geophysical Research: Solid Earth (1978–2012)

    Volume 111, Issue B5, May 2006, D. L. Schutt and C. E. Lesher

    Version of Record online : 2 MAY 2006, DOI: 10.1029/2003JB002950

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    Theoretical investigation of NH3-SCR processes over zeolites: A review

    International Journal of Quantum Chemistry

    Volume 115, Issue 10, May 15, 2015, Pages: 618–630, Yu Mao, Hai-Feng Wang and P. Hu

    Version of Record online : 13 DEC 2014, DOI: 10.1002/qua.24844

  5. Critical Effect of Phosphane Ligands on the Mechanism of Carbon–Carbon Bond Formation Involving Palladium(II) Complexes: A Theoretical Investigation of Reductive Elimination from Square-Planar and T-Shaped Species

    European Journal of Inorganic Chemistry

    Volume 2007, Issue 34, December 2007, Pages: 5390–5399, Valentine P. Ananikov, Djamaladdin G. Musaev and Keiji Morokuma

    Version of Record online : 12 OCT 2007, DOI: 10.1002/ejic.200700850

  6. Spherical confinement of coulombic systems inside an impenetrable box: H atom and the Hulthén potential

    International Journal of Quantum Chemistry

    Volume 115, Issue 15, August 5, 2015, Pages: 937–947, Amlan K. Roy

    Version of Record online : 10 MAY 2015, DOI: 10.1002/qua.24929

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    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

  8. Hydrogenation of natural rubber latex in the presence of OsHCl(CO)(O2)(PCy3)2

    Journal of Applied Polymer Science

    Volume 100, Issue 1, 5 April 2006, Pages: 640–655, A. Mahittikul, P. Prasassarakich and G. L. Rempel

    Version of Record online : 26 JAN 2006, DOI: 10.1002/app.23390

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    Density matrix renormalization group for ab initio Calculations and associated dynamic correlation methods: A review of theory and applications

    International Journal of Quantum Chemistry

    Volume 115, Issue 5, March 5, 2015, Pages: 283–299, Takeshi Yanai, Yuki Kurashige, Wataru Mizukami, Jakub Chalupský, Tran Nguyen Lan and Masaaki Saitow

    Version of Record online : 22 OCT 2014, DOI: 10.1002/qua.24808

  10. What are the spectroscopic properties of HFC-32? Answers from DFT

    International Journal of Quantum Chemistry

    Volume 114, Issue 21, November 5, 2014, Pages: 1472–1485, Nicola Tasinato

    Version of Record online : 28 MAY 2014, DOI: 10.1002/qua.24716

  11. A perspective on the relative merits of time-dependent and time-independent density functional theory in studies of the electron spectra due to transition metal complexes. An illustration through applications to copper tetrachloride and plastocyanin

    International Journal of Quantum Chemistry

    Volume 114, Issue 15, 5 August 2014, Pages: 1019–1029, Hristina R. Zhekova, Michael Seth and Tom Ziegler

    Version of Record online : 6 FEB 2014, DOI: 10.1002/qua.24624

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    Hubbard-corrected DFT energy functionals: The LDA+U description of correlated systems

    International Journal of Quantum Chemistry

    Volume 114, Issue 1, 5 January 2014, Pages: 14–49, Burak Himmetoglu, Andrea Floris, Stefano de Gironcoli and Matteo Cococcioni

    Version of Record online : 26 JUL 2013, DOI: 10.1002/qua.24521

  13. Theoretical study on the gas-phase reaction mechanism between nickel monoxide and methane for syngas production

    Journal of Computational Chemistry

    Volume 30, Issue 6, 30 April 2009, Pages: 847–863, Hua-Qing Yang, Song Qin, Song Qin and Chang-Wei Hu

    Version of Record online : 22 JAN 2009, DOI: 10.1002/jcc.21205

  14. An Overview of Plant Volatile Metabolomics, Sample Treatment and Reporting Considerations with Emphasis on Mechanical Damage and Biological Control of Weeds

    Phytochemical Analysis

    Volume 25, Issue 4, July/August 2014, Pages: 331–341, John J. Beck, Lincoln Smith and Nausheena Baig

    Version of Record online : 18 DEC 2013, DOI: 10.1002/pca.2486

  15. Impaired neuronal operation through aberrant intrinsic plasticity in epilepsy

    Annals of Neurology

    Volume 77, Issue 4, April 2015, Pages: 592–606, Julien Artinian, Angélique Peret, Yanina Mircheva, Geoffrey Marti and Valérie Crépel

    Version of Record online : 6 MAR 2015, DOI: 10.1002/ana.24348

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    Global optimization of clusters using electronic structure methods

    International Journal of Quantum Chemistry

    Volume 113, Issue 18, September 15, 2013, Pages: 2091–2109, Sven Heiles and Roy L. Johnston

    Version of Record online : 18 MAY 2013, DOI: 10.1002/qua.24462

  17. Bioassays in Natural Product Research – Strategies and Methods in the Search for Anti-inflammatory and Antimicrobial Activity

    Phytochemical Analysis

    Volume 25, Issue 1, January/February 2014, Pages: 13–28, Adam A. Strömstedt, Jenny Felth and Lars Bohlin

    Version of Record online : 10 SEP 2013, DOI: 10.1002/pca.2468

  18. Noble Metals, Analytical Chemistry of

    Standard Article

    Encyclopedia of Analytical Chemistry

    Maria Balcerzak

    Published Online : 29 DEC 2015, DOI: 10.1002/9780470027318.a2411.pub2

  19. Energy Failure

    Annals of Neurology

    Volume 74, Issue 4, October 2013, Pages: 506–516, Divya Pathak, Amandine Berthet and Ken Nakamura

    Version of Record online : 26 NOV 2013, DOI: 10.1002/ana.24014

  20. You have full text access to this OnlineOpen article
    Generalized vibrational perturbation theory for rotovibrational energies of linear, symmetric and asymmetric tops: Theory, approximations, and automated approaches to deal with medium-to-large molecular systems

    International Journal of Quantum Chemistry

    Volume 115, Issue 15, August 5, 2015, Pages: 948–982, Matteo Piccardo, Julien Bloino and Vincenzo Barone

    Version of Record online : 10 JUN 2015, DOI: 10.1002/qua.24931