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There are 11397 results for: content related to: Evaluation of the electron momentum density of crystalline systems from ab initio linear combination of atomic orbitals calculations

  1. Sparse random graphs with clustering

    Random Structures & Algorithms

    Volume 38, Issue 3, May 2011, Pages: 269–323, Béla Bollobás, Svante Janson and Oliver Riordan

    Version of Record online : 28 APR 2010, DOI: 10.1002/rsa.20322

  2. Efficient implementation of restricted active space configuration interaction with the hole and particle approximation

    Journal of Computational Chemistry

    Volume 34, Issue 9, 5 April 2013, Pages: 720–730, David Casanova

    Version of Record online : 7 DEC 2012, DOI: 10.1002/jcc.23188

  3. Weak saturation of ideals on Pκ(λ)

    Mathematical Logic Quarterly

    Volume 57, Issue 2, April 2011, Pages: 149–165, Pierre Matet

    Version of Record online : 23 FEB 2011, DOI: 10.1002/malq.200810064

  4. Function spaces on singular manifolds

    Mathematische Nachrichten

    Volume 286, Issue 5-6, April 2013, Pages: 436–475, H. Amann

    Version of Record online : 4 MAY 2012, DOI: 10.1002/mana.201100157

  5. A first-order system least-squares finite element method for the Poisson-Boltzmann equation

    Journal of Computational Chemistry

    Volume 31, Issue 8, June 2010, Pages: 1625–1635, Stephen D. Bond, Jehanzeb Hameed Chaudhry, Eric C. Cyr and Luke N. Olson

    Version of Record online : 11 NOV 2009, DOI: 10.1002/jcc.21446

  6. Adaptive multilevel finite element solution of the Poisson–Boltzmann equation II. Refinement at solvent-accessible surfaces in biomolecular systems

    Journal of Computational Chemistry

    Volume 21, Issue 15, 30 November 2000, Pages: 1343–1352, N. Baker, M. Holst and F. Wang

    Version of Record online : 3 OCT 2000, DOI: 10.1002/1096-987X(20001130)21:15<1343::AID-JCC2>3.0.CO;2-K

  7. Density functional study of electronic,bonding, and vibrational properties of Ca (NH2BH3)2

    Journal of Computational Chemistry

    Volume 33, Issue 9, 5 April 2012, Pages: 987–997, Ch. Bheema Lingam, K. Ramesh Babu, Surya P. Tewari and G. Vaitheeswaran

    Version of Record online : 13 FEB 2012, DOI: 10.1002/jcc.22929

  8. Time-dependent coupled-cluster calculations of polarizabilities and dispersion energy coefficients

    Journal of Computational Chemistry

    Volume 29, Issue 3, February 2008, Pages: 445–450, Richard J. Wheatley

    Version of Record online : 18 JUL 2007, DOI: 10.1002/jcc.20801

  9. A hierarchical algorithm for fast debye summation with applications to small angle scattering

    Journal of Computational Chemistry

    Volume 33, Issue 25, 30 September 2012, Pages: 1981–1996, Nail A. Gumerov, Konstantin Berlin, David Fushman and Ramani Duraiswami

    Version of Record online : 18 JUN 2012, DOI: 10.1002/jcc.23025

  10. The Jahn–Teller and pseudo-Jahn–Teller effects in the anion photoelectron spectroscopy of B3 cluster

    Journal of Computational Chemistry

    Volume 27, Issue 10, 30 July 2006, Pages: 1093–1100, T. S. Venkatesan, K. Deepika and S. Mahapatra

    Version of Record online : 11 MAY 2006, DOI: 10.1002/jcc.20423

  11. You have free access to this content
    MIBPB: A software package for electrostatic analysis

    Journal of Computational Chemistry

    Volume 32, Issue 4, March 2011, Pages: 756–770, Duan Chen, Zhan Chen, Changjun Chen, Weihua Geng and Guo-Wei Wei

    Version of Record online : 15 SEP 2010, DOI: 10.1002/jcc.21646

  12. Effects of spin-orbit coupling on magnetic properties of discrete and extended magnetic systems

    Journal of Computational Chemistry

    Volume 29, Issue 13, October 2008, Pages: 2187–2209, Dadi Dai, Hongjun Xiang and Myung-Hwan Whangbo

    Version of Record online : 16 MAY 2008, DOI: 10.1002/jcc.21011

  13. Identification of biomolecular conformations from incomplete torsion angle observations by hidden markov models

    Journal of Computational Chemistry

    Volume 28, Issue 15, 30 November 2007, Pages: 2453–2464, Alexander Fischer, Sonja Waldhausen, Illia Horenko, Eike Meerbach and Christof Schütte

    Version of Record online : 6 AUG 2007, DOI: 10.1002/jcc.20692

  14. Hierarchies of ineffabilities

    Mathematical Logic Quarterly

    Volume 59, Issue 3, May 2013, Pages: 230–237, Toshimichi Usuba

    Version of Record online : 20 MAR 2013, DOI: 10.1002/malq.201200003

  15. On the efficient evaluation of Fourier patterns for nanoparticles and clusters

    Journal of Computational Chemistry

    Volume 27, Issue 9, 15 July 2006, Pages: 995–1008, Antonio Cervellino, Cinzia Giannini and Antonietta Guagliardi

    Version of Record online : 17 APR 2006, DOI: 10.1002/jcc.20407

  16. Indestructibility, measurability, and degrees of supercompactness

    Mathematical Logic Quarterly

    Volume 58, Issue 1-2, February 2012, Pages: 75–82, Arthur W. Apter

    Version of Record online : 4 JAN 2012, DOI: 10.1002/malq.201020097

  17. Generalized point operators for aggregating intuitionistic fuzzy information

    International Journal of Intelligent Systems

    Volume 25, Issue 11, November 2010, Pages: 1061–1080, Meimei Xia and Zeshui Xu

    Version of Record online : 18 JUN 2010, DOI: 10.1002/int.20439

  18. Acceleration of coarse grain molecular dynamics on GPU architectures

    Journal of Computational Chemistry

    Volume 34, Issue 10, 5 April 2013, Pages: 803–818, Ardita Shkurti, Mario Orsi, Enrico Macii, Elisa Ficarra and Andrea Acquaviva

    Version of Record online : 28 DEC 2012, DOI: 10.1002/jcc.23183

  19. On the negative squares of a class of self-adjoint extensions in Krein spaces

    Mathematische Nachrichten

    Volume 286, Issue 2-3, February 2013, Pages: 118–148, Jussi Behrndt, Annemarie Luger and Carsten Trunk

    Version of Record online : 9 NOV 2012, DOI: 10.1002/mana.201000154

  20. Identification of Material Parameters for Constitutive Equations

    Standard Article

    Encyclopedia of Computational Mechanics

    R. Mahnken

    Published Online : 15 NOV 2004, DOI: 10.1002/0470091355.ecm043