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There are 40209 results for: content related to: Comprehensive understanding of size-, shape-, and composition-dependent polarizabilities of Si m C n ( m , n = 1–4) clusters

  1. Electric Fields in Electronic Structure Calculations: Electric Polarizabilities and IR and Raman Spectra from First Principles

    physica status solidi (b)

    Volume 217, Issue 1, January 2000, Pages: 293–310, K. Jackson

    Version of Record online : 13 JAN 2000, DOI: 10.1002/(SICI)1521-3951(200001)217:1<293::AID-PSSB293>3.0.CO;2-N

  2. Electronic Polarizabilities and Photoelastic Behaviour of Ionic Crystals

    physica status solidi (b)

    Volume 138, Issue 1, 1 November 1986, Pages: 9–30, J. Shanker, G. G. Agrawal and N. Dutt

    Version of Record online : 19 FEB 2006, DOI: 10.1002/pssb.2221380102

  3. Intramolecular Enantiomerism in S(+)2,2-dimethyl -1,3-dioxolane-4-methanol: The Interpretation of Raman Optical Activity Intensity

    Chirality

    Volume 27, Issue 11, November 2015, Pages: 820–825, Guozhen Wu and Peijie Wang

    Version of Record online : 19 SEP 2015, DOI: 10.1002/chir.22507

  4. Long-range interaction for dimers of atmospheric interest: dispersion, induction and electrostatic contributions for O2[BOND]O2, N2[BOND]N2 and O2[BOND]N2

    Journal of Computational Chemistry

    Volume 32, Issue 2, 30 January 2011, Pages: 279–290, Massimiliano Bartolomei, Estela Carmona-Novillo, Marta I. Hernández, José Campos-Martínez and Ramón Hernández-Lamoneda

    Version of Record online : 19 JUL 2010, DOI: 10.1002/jcc.21619

  5. 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

  6. Analysis of Electronic Polarizabilities in Ionic Crystals

    physica status solidi (b)

    Volume 165, Issue 2, 1 June 1991, Pages: 599–610, U. C. Dikshit and M. Kumar

    Version of Record online : 19 FEB 2006, DOI: 10.1002/pssb.2221650231

  7. Gaussian induced dipole polarization model

    Journal of Computational Chemistry

    Volume 28, Issue 7, May 2007, Pages: 1261–1274, Dennis Elking, Tom Darden and Robert J. Woods

    Version of Record online : 13 FEB 2007, DOI: 10.1002/jcc.20574

  8. Raman excitation of (+)-(R)-methyloxirane and its origin of optical activity via bond polarizabilities

    Journal of Raman Spectroscopy

    Volume 42, Issue 2, February 2011, Pages: 186–191, Peijie Wang, Yan Fang and Guozhen Wu

    Version of Record online : 21 APR 2010, DOI: 10.1002/jrs.2670

  9. Dispersion theory of nucleon Compton scattering and polarizabilities

    Fortschritte der Physik

    Volume 61, Issue 7-8, July 2013, Pages: 703–741, M. Schumacher and M.D. Scadron

    Version of Record online : 2 APR 2013, DOI: 10.1002/prop.201300007

  10. Theoretical determination of the differential polarizability and anisotropy of alkaline earth oxide nanoclusters (BeO)n [n = 2–9]: The basis set and electron correlation effects

    International Journal of Quantum Chemistry

    Volume 114, Issue 4, 15 February 2014, Pages: 255–260, Mojtaba Alipour

    Version of Record online : 30 SEP 2013, DOI: 10.1002/qua.24552

  11. On the shape dependence of cluster (hyper)polarizabilities. A combined ab initio and DFT study on large fullerene–like gallium arsenide semiconductor clusters

    International Journal of Quantum Chemistry

    Volume 111, Issue 4, 15 March 2011, Pages: 788–796, Panaghiotis Karamanis and Claude Pouchan

    Version of Record online : 31 AUG 2010, DOI: 10.1002/qua.22854

  12. Electric Fields in Electronic Structure Calculations: Electric Polarizabilities and IR and Raman Spectra from First Principles

    Computer Simulation of Materials at Atomic Level

    Péter Deák, Thomas Frauenheim, Mark R. Pederson, Pages: 293–310, 2005

    Published Online : 28 JAN 2005, DOI: 10.1002/3527603107.ch12

  13. Molecule-specific determination of atomic polarizabilities with the polarizable atomic multipole model

    Journal of Computational Chemistry

    Volume 33, Issue 20, 30 July 2012, Pages: 1662–1672, Hyun Woo Kim and Young Min Rhee

    Version of Record online : 8 MAY 2012, DOI: 10.1002/jcc.22985

  14. 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

  15. Molecular polarizabilities and induced dipole moments in molecular mechanics

    Journal of Computational Chemistry

    Volume 21, Issue 10, 30 July 2000, Pages: 813–825, Buyong Ma, Jenn-Huei Lii and Norman L. Allinger

    Version of Record online : 21 JUN 2000, DOI: 10.1002/1096-987X(20000730)21:10<813::AID-JCC1>3.0.CO;2-T

  16. Coupled Hartree Fock calculation of static dipole polarizabilities and shielding factors of open shell systems

    International Journal of Quantum Chemistry

    Volume 8, Issue 1, January 1974, Pages: 97–105, A. Gupta, A. K. Bhattacharya and P. K. Mukherjee

    Version of Record online : 19 OCT 2004, DOI: 10.1002/qua.560080111

  17. You have free access to this content
    Density functional studies of molecular polarizabilities. Part 5: cyclopropane and related compounds (cyclo-C2H4XHη where XHη = BH, AlH, GaH, CH2, SiH2, GeH2, NH, PH, AsH, O, S and Se)

    Electronic Journal of Theoretical Chemistry

    Volume 2, Issue 1, 1997, Pages: 255–262, A. Hinchliffe and H. J. S. Machado

    Version of Record online : 15 MAR 2001, DOI: 10.1002/ejtc.58

  18. Dipole, quadrupole, octupole, and dipole–dipole–quandrupole polarizabilities and second hyperpolarizabilities at real and imaginary frequencies for helium in the 23S state: Dispersion-energy coefficients for interactions between He(23S) and H(12S), He(11S), He(23S), or H2(X1g+)

    International Journal of Quantum Chemistry

    Volume 47, Issue 2, 15 July 1993, Pages: 129–134, David M. Bishop and Janusz Pipin

    Version of Record online : 19 OCT 2004, DOI: 10.1002/qua.560470204

  19. Comparative study of unscreened and screened molecular static linear polarizability in the Hartree–Fock, hybrid-density functional, and density functional models

    International Journal of Quantum Chemistry

    Volume 108, Issue 2, 2008, Pages: 307–317, Rajendra R. Zope, Tunna Baruah, Mark R. Pederson and B. I. Dunlap

    Version of Record online : 21 AUG 2007, DOI: 10.1002/qua.21458

  20. Polarizabilities of heteroaromatic molecules: Azines revisited

    International Journal of Quantum Chemistry

    Volume 60, Issue 7, 1996, Pages: 1633–1642, Robert J. Doerksen and Ajit J. Thakkar

    Version of Record online : 6 DEC 1998, DOI: 10.1002/(SICI)1097-461X(1996)60:7<1633::AID-QUA45>3.0.CO;2-#