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There are 22441 results for: content related to: Cover Image, Volume 114, Issue 11

  1. Accurate calculations of dynamic first hyperpolarizability: Construction of physically justified slater-type basis sets

    International Journal of Quantum Chemistry

    Volume 114, Issue 11, 5 June 2014, Pages: 689–695, Vladimir Rossikhin, Eugene Voronkov, Sergiy Okovytyy, Tetiana Sergeieva, Karina Kapusta and Jerzy Leszczynski

    Version of Record online : 6 FEB 2014, DOI: 10.1002/qua.24617

  2. Static and dynamic first hyperpolarizabilities from time-dependent auxiliary density perturbation theory

    International Journal of Quantum Chemistry

    Volume 112, Issue 21, 5 November 2012, Pages: 3461–3471, Javier Carmona-Espíndola, Roberto Flores-Moreno and Andreas M. Köster

    Version of Record online : 4 APR 2012, DOI: 10.1002/qua.24082

  3. Electric properties of formaldehyde, thioformaldehyde, urea, formamide, and thioformamide—Post-HF and DFT study

    International Journal of Quantum Chemistry

    Volume 107, Issue 11, 2007, Pages: 2133–2152, Zuzana Benková, Ivan Černušák and Pavol Zahradník

    Version of Record online : 11 MAY 2007, DOI: 10.1002/qua.21399

  4. Benzo[c]thiophene Chromophores Linked to Cationic Fe and Ru Derivatives for NLO Materials: Synthesis Characterization and Quadratic Hyperpolarizabilities

    European Journal of Inorganic Chemistry

    Volume 2013, Issue 20, July 2013, Pages: 3506–3517, Tiago J. L. Silva, Paulo J. Mendes, M. Helena Garcia, M. Paula Robalo, J. P. Prates Ramalho, A. J. Palace Carvalho, Marina Büchert, Christian Wittenburg and Jürgen Heck

    Version of Record online : 31 MAY 2013, DOI: 10.1002/ejic.201300048

  5. The Importance of the DFT method on the computation of the second hyperpolarizability of semiconductor clusters of increasing size: A critical analysis on prolate aluminum phosphide clusters

    International Journal of Quantum Chemistry

    Volume 112, Issue 9, 5 May 2012, Pages: 2115–2125, Panaghiotis Karamanis

    Version of Record online : 15 JUL 2011, DOI: 10.1002/qua.23184

  6. Evaluation of the molecular static and dynamic first hyperpolarizabilities

    International Journal of Quantum Chemistry

    Volume 114, Issue 14, 15 July 2014, Pages: 900–910, Marc de Wergifosse, Vincent Liégeois and Benoît Champagne

    Version of Record online : 29 APR 2014, DOI: 10.1002/qua.24685

  7. Ab Initio Computations of Polarizabilities and Hyperpolarizabilities of Atoms and Molecules

    Advances in Chemical Physics: Modern Nonlinear Optics. Part 2, Volume 85

    Myron Evans, Stanisław Kielich, Pages: 415–488, 2007

    Published Online : 14 MAR 2007, DOI: 10.1002/9780470141441.ch6

  8. Three-dimensional visualization of the first hyperpolarizability tensor

    Journal of Computational Chemistry

    Volume 32, Issue 6, 30 April 2011, Pages: 1128–1134, Adam Tuer, Serguei Krouglov, Richard Cisek, Danielle Tokarz and Virginijus Barzda

    Version of Record online : 19 NOV 2010, DOI: 10.1002/jcc.21694

  9. How does hybrid bridging core modification enhance the nonlinear optical properties in donor-π-acceptor configuration? A case study of dinitrophenol derivatives

    Journal of Computational Chemistry

    Volume 36, Issue 2, January 15, 2015, Pages: 118–128, Shabbir Muhammad, Ahmad Irfan, Mohd Shkir, Aijaz R. Chaudhry, Abul Kalam, Salem AlFaify, Abdullah G. Al-Sehemi, A. E. Al-Salami, I. S. Yahia, Hong-Liang Xu and Zhong-Min Su

    Version of Record online : 10 NOV 2014, DOI: 10.1002/jcc.23777

  10. Static and frequency dependent polarizabilities and hyperpolarizabilities of H2Sn

    Journal of Computational Chemistry

    Volume 19, Issue 15, 30 November 1998, Pages: 1698–1715, S. G. Raptis, S. M. Nasiou, I. N. Demetropoulos and M. G. Papadopoulos

    Version of Record online : 6 JAN 1999, DOI: 10.1002/(SICI)1096-987X(19981130)19:15<1698::AID-JCC3>3.0.CO;2-I

  11. Electronic excitations and first hyperpolarizability of 2-methyl-4-nitroaniline clusters

    International Journal of Quantum Chemistry

    Volume 90, Issue 4-5, 2002, Pages: 1378–1387, Maxime Guillaume, Edith Botek, Benoît Champagne, Frédéric Castet and Laurent Ducasse

    Version of Record online : 9 SEP 2002, DOI: 10.1002/qua.10355

  12. Experimental and Theoretical Investigation of the First-Order Hyperpolarizability of Octupolar Merocyanine Dyes

    ChemPhysChem

    Volume 15, Issue 12, August 25, 2014, Pages: 2575–2581, Dr. Frédéric Castet, Dr. Mireille Blanchard-Desce, Frédéric Adamietz, Yevgen M. Poronik, Prof. Dr. Daniel T. Gryko and Prof. Dr. Vincent Rodriguez

    Version of Record online : 20 JUN 2014, DOI: 10.1002/cphc.201402083

  13. You have free access to this content
    Cover Image, Volume 35, Issue 11

    Journal of Computational Chemistry

    Volume 35, Issue 11, 30 April 2014, Pages: i–ii,

    Version of Record online : 19 MAR 2014, DOI: 10.1002/jcc.23596

  14. Theoretical study on a series of push–pull molecules grafted on methacrylate copolymers serving for nonlinear optics

    International Journal of Quantum Chemistry

    Volume 112, Issue 15, 5 August 2012, Pages: 2735–2742, S. N. Derrar, M. Sekkal-Rahal, K. Guemra and P. Derreumaux

    Version of Record online : 23 FEB 2012, DOI: 10.1002/qua.23299

  15. Structural and static electric response properties of highly symmetric lithiated silicon cages: Theoretical predictions

    Journal of Computational Chemistry

    Volume 33, Issue 10, 15 April 2012, Pages: 1068–1079, Emmanuel N. Koukaras, Aristides D. Zdetsis, Panaghiotis Karamanis, Claude Pouchan, Aggelos Avramopoulos and Manthos G. Papadopoulos

    Version of Record online : 16 FEB 2012, DOI: 10.1002/jcc.22938

  16. Static hyperpolarizability of the van der Waals complex CH4[BOND]N2

    Journal of Computational Chemistry

    Volume 33, Issue 32, 15 December 2012, Pages: 2544–2553, Yulia N. Kalugina, Mikhail A. Buldakov and Victor N. Cherepanov

    Version of Record online : 20 AUG 2012, DOI: 10.1002/jcc.23093

  17. Absolute Raman intensity measurements and determination of the vibrational second hyperpolarizability of adamantyl endcapped polyynes

    Journal of Raman Spectroscopy

    Volume 43, Issue 9, September 2012, Pages: 1293–1298, A. Lucotti, M. Tommasini, D. Fazzi, M. Del Zoppo, W. A. Chalifoux, R. R. Tykwinski and G. Zerbi

    Version of Record online : 1 JUN 2012, DOI: 10.1002/jrs.3166

  18. Li2 Trapped inside Tubiform [n] Boron Nitride Clusters (n=4–8): Structures and First Hyperpolarizability

    ChemPhysChem

    Volume 13, Issue 5, April 10, 2012, Pages: 1307–1312, Dr. Fang Ma, Dr. Zhong-Jun Zhou and Dr. Ying-Tao Liu

    Version of Record online : 29 FEB 2012, DOI: 10.1002/cphc.201100907

  19. BODIPY-Bridged Push–Pull Chromophores for Nonlinear Optical Applications

    ChemPhysChem

    Volume 15, Issue 13, September 15, 2014, Pages: 2693–2700, Dr. Gilles Ulrich, Dr. Alberto Barsella, Dr. Alex Boeglin, Dr. Songlin Niu and Dr. Raymond Ziessel

    Version of Record online : 20 JUN 2014, DOI: 10.1002/cphc.201402123

  20. Substituent Effects on the Structural Features and Nonlinear Optical Properties of the Organic Alkalide Li+(calix[4]pyrrole)Li

    ChemPhysChem

    Volume 14, Issue 2, February 4, 2013, Pages: 408–416, Dr. Wei-Ming Sun, Prof. Di Wu, Prof. Ying Li and Prof. Zhi-Ru Li

    Version of Record online : 4 JAN 2013, DOI: 10.1002/cphc.201200805