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There are 3570 results for: content related to: Static hyperpolarizability of the van der Waals complex CH 4 [BOND]N 2

  1. 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

  2. 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

  3. 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

  4. 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

  5. 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

  6. 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

  7. 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

  8. Influence of Spiral Framework on Nonlinear Optical Materials


    Volume 15, Issue 5, April 4, 2014, Pages: 929–934, Yang-Yang Hu, Dr. Shi-Ling Sun, Wen-Tao Tian, Prof. Wei Quan Tian, Dr. Hong-Liang Xu and Prof. Zhong-Min Su

    Version of Record online : 13 FEB 2014, DOI: 10.1002/cphc.201301149

  9. 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

  10. You have free access to this content
    Theoretical insights and design of intriguing nonlinear optical species involving the excess electron

    International Journal of Quantum Chemistry

    Volume 115, Issue 11, June 5, 2015, Pages: 671–679, Guangtao Yu, Xuri Huang, Shaochen Li and Wei Chen

    Version of Record online : 7 FEB 2015, DOI: 10.1002/qua.24878

  11. Theoretical study of solvent effect on the structure, first electronic excited state, and nonlinear optical properties of substituted stilbazolium cations

    International Journal of Quantum Chemistry

    Volume 111, Issue 4, 15 March 2011, Pages: 780–787, Talgat M. Inerbaev, Feng Long Gu, Hiroshi Mizuseki and Yoshiyuki Kawazoe

    Version of Record online : 31 AUG 2010, DOI: 10.1002/qua.22882

  12. Influence of the Delocalization Error and Applicability of Optimal Functional Tuning in Density Functional Calculations of Nonlinear Optical Properties of Organic Donor–Acceptor Chromophores


    Volume 14, Issue 11, August 5, 2013, Pages: 2450–2461, Haitao Sun and Prof. Dr. Jochen Autschbach

    Version of Record online : 11 JUN 2013, DOI: 10.1002/cphc.201300256

  13. NLO Response of Photoswitchable Azobenzene-Based Materials


    Volume 14, Issue 13, September 16, 2013, Pages: 2961–2972, Nikolaos Liaros, Prof. Stelios Couris, Dr. Laura Maggini, Federica De Leo, Dr. Fabrizio Cattaruzza, Dr. Claudia Aurisicchio and Prof. Dr. Davide Bonifazi

    Version of Record online : 11 JUL 2013, DOI: 10.1002/cphc.201300420

  14. Highly Efficient Organic THz Generator Pumped at Near-Infrared: Quinolinium Single Crystals

    Advanced Functional Materials

    Volume 22, Issue 1, January 11, 2012, Pages: 200–209, Pil-Joo Kim, Jae-Hyeok Jeong, Mojca Jazbinsek, Soo-Bong Choi, In-Hyung Baek, Jong-Taek Kim, Fabian Rotermund, Hoseop Yun, Yoon Sup Lee, Peter Günter and O-Pil Kwon

    Version of Record online : 24 OCT 2011, DOI: 10.1002/adfm.201101458

  15. Multichromophoric Calix[4]arenes: Effect of Interchromophore Distances on Linear and Nonlinear Optical Properties


    Volume 13, Issue 13, September 17, 2012, Pages: 3204–3209, Dr. Raquel Andreu, Dr. Santiago Franco, Prof. Javier Garín, Judith Romero, Dr. Belén Villacampa, Dr. María Jesús Blesa and Dr. Jesús Orduna

    Version of Record online : 15 JUN 2012, DOI: 10.1002/cphc.201200203

  16. After the electronic field: Structure, bonding, and the first hyperpolarizability of HArF

    Journal of Computational Chemistry

    Volume 34, Issue 11, 30 April 2013, Pages: 952–957, Heng-Qing Wu, Rong-Lin Zhong, Yu-He Kan, Shi-Ling Sun, Min Zhang, Hong-Liang Xu and Zhong-Min Su

    Version of Record online : 3 JAN 2013, DOI: 10.1002/jcc.23220

  17. The polarizability and the second hyperpolarizability of tetrakis(phenylethynyl)ethene and several of its lithiated derivatives

    International Journal of Quantum Chemistry

    Volume 72, Issue 3, 1999, Pages: 177–187, M. Theologitis, G. C. Screttas, S. G. Raptis and M. G. Papadopoulos

    Version of Record online : 2 FEB 1999, DOI: 10.1002/(SICI)1097-461X(1999)72:3<177::AID-QUA2>3.0.CO;2-3

  18. Structural effects on the low cubic hyperpolarizability of C60: A scaling of conjugation in three-dimensional curvature of π-conjugation systems

    International Journal of Quantum Chemistry

    Volume 75, Issue 4-5, 1999, Pages: 457–463, Ying-Ting Lin and Shyi-Long Lee

    Version of Record online : 29 OCT 1999, DOI: 10.1002/(SICI)1097-461X(1999)75:4/5<457::AID-QUA12>3.0.CO;2-X

  19. 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

  20. The Excess Electron in a Boron Nitride Nanotube: Pyramidal NBO Charge Distribution and Remarkable First Hyperpolarizability

    Chemistry - A European Journal

    Volume 18, Issue 36, September 3, 2012, Pages: 11350–11355, Rong-Lin Zhong, Dr. Hong-Liang Xu, Dr. Shi-Ling Sun, Prof. Yong-Qing Qiu and Prof. Zhong-Min Su

    Version of Record online : 24 JUL 2012, DOI: 10.1002/chem.201201570