Search Results

There are 11106 results for: content related to: Polarized–unpolarized ground state of small polycyclic aromatic hydrocarbons

  1. Nuclear-Spin-Induced Cotton–Mouton Effect in a Strong External Magnetic Field

    ChemPhysChem

    Volume 15, Issue 11, August 4, 2014, Pages: 2337–2350, Dr. Li-juan Fu and Prof. Dr. Juha Vaara

    Version of Record online : 23 MAY 2014, DOI: 10.1002/cphc.201402121

  2. Spin-Polarized Symmetric Electron-Hole Quantum Bilayers: Finite width Effect

    Contributions to Plasma Physics

    Volume 52, Issue 3, April 2012, Pages: 211–218, M. G. Nayak and L. K. Saini

    Version of Record online : 12 APR 2012, DOI: 10.1002/ctpp.201100045

  3. 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

  4. Experimental Studies of Multicomponent Quantum Hall Systems

    Perspectives in Quantum Hall Effects: Novel Quantum Liquids in Low-Dimensional Semiconductor Structures

    Sankar Das Sarma, Aron Pinczuk, Pages: 37–70, 2007

    Published Online : 29 DEC 2007, DOI: 10.1002/9783527617258.ch2

  5. Electronic properties and electron–electron interactions in graphene quantum dots

    physica status solidi (RRL) - Rapid Research Letters

    Volume 10, Issue 1, January 2016, Pages: 13–23, Isil Ozfidan, Marek Korkusinski and Pawel Hawrylak

    Version of Record online : 16 OCT 2015, DOI: 10.1002/pssr.201510251

  6. Cyclobutadiene automerization and rotation of ethylene: Energetics of the barriers by using Spin-polarized wave functions

    Journal of Computational Chemistry

    Volume 35, Issue 18, 5 July 2014, Pages: 1356–1363, Emilio San-Fabián and Federico Moscardó

    Version of Record online : 10 MAY 2014, DOI: 10.1002/jcc.23630

  7. Accurate local spin-polarized exchange potential: Reconciliation of generalized Slater and Kohn–Sham methods

    International Journal of Quantum Chemistry

    Volume 41, Issue 3, 5 February 1992, Pages: 489–496, J. B. Krieger, Yan Li and G. J. Iafrate

    Version of Record online : 19 OCT 2004, DOI: 10.1002/qua.560410311

  8. Electronic structure of the S1 state in methylcobalamin: Insight from CASSCF/MC-XQDPT2, EOM-CCSD, and TD-DFT calculations

    Journal of Computational Chemistry

    Volume 34, Issue 12, 5 May 2013, Pages: 987–1004, Karina Kornobis, Neeraj Kumar, Piotr Lodowski, Maria Jaworska, Piotr Piecuch, Jesse J. Lutz, Bryan M. Wong and Pawel M. Kozlowski

    Version of Record online : 19 JAN 2013, DOI: 10.1002/jcc.23204

  9. Thermoballistic spin-polarized electron transport in paramagnetic semiconductors

    Annalen der Physik

    Volume 18, Issue 2-3, March 2009, Pages: 127–156, R. Lipperheide and U. Wille

    Version of Record online : 19 MAR 2009, DOI: 10.1002/andp.200810344

  10. Spin-polarized energy bands in antiferromagnetic MnO

    International Journal of Quantum Chemistry

    Volume 2, Issue S2, 15/20 January 1968, Pages: 269–276, Timothy M. Wilson

    Version of Record online : 18 JUN 2009, DOI: 10.1002/qua.560020727

  11. The Theoretical Machinery at Work

    Computational Chemistry of Solid State Materials: A Guide for Materials Scientists, Chemists, Physicists and others

    Richard Dronskowski, Pages: 165–264, 2007

    Published Online : 5 NOV 2007, DOI: 10.1002/9783527612277.ch3

  12. Theory of chemical bonds in metalloenzymes I: Analytical and hybrid-DFT studies on oxo and hydroxo diiron cores

    International Journal of Quantum Chemistry

    Volume 100, Issue 6, 20 December 2004, Pages: 887–906, M. Shoji, Y. Nishiyama, Y. Maruno, K. Koizumi, Y. Kitagawa, S. Yamanaka, T. Kawakami, M. Okumura and K. Yamaguchi

    Version of Record online : 27 AUG 2004, DOI: 10.1002/qua.20286

  13. The 2-matrix of the spin-polarized electron gas: contraction sum rules and spectral resolutions

    Annalen der Physik

    Volume 13, Issue 3, March 2004, Pages: 124–148, P. Ziesche and F. Tasnádi

    Version of Record online : 19 DEC 2003, DOI: 10.1002/andp.200310068

  14. U-calculation of the LSDA + U functional using the hybrid B3LYP and HSE functionals

    physica status solidi (b)

    Volume 250, Issue 2, February 2013, Pages: 356–363, Antonis N. Andriotis, Giannis Mpourmpakis, Sergey Lisenkov, R. Michael Sheetz and Madhu Menon

    Version of Record online : 17 OCT 2012, DOI: 10.1002/pssb.201248215

  15. Spin-polarized surface-emitting lasers

    physica status solidi (c)

    Volume 3, Issue 12, January 2007, Pages: 4396–4400, P. Bhattacharya, M. Holub and D. Saha

    Version of Record online : 18 JAN 2007, DOI: 10.1002/pssc.200672883

  16. Spin-Polarized Compton Profile of Nickel

    physica status solidi (b)

    Volume 120, Issue 1, 1 November 1983, Pages: 273–281, P. Rennert, G. Carl and W. Hergert

    Version of Record online : 10 FEB 2006, DOI: 10.1002/pssb.2221200129

  17. Kinetics and structural aspects of the cisplatin interactions with guanine: A quantum mechanical description

    International Journal of Quantum Chemistry

    Volume 106, Issue 9, 2006, Pages: 2129–2144, Luiz Antônio S. Costa, Trevor W. Hambley, Willian R. Rocha, Wagner B. De Almeida and Hélio F. Dos Santos

    Version of Record online : 13 MAR 2006, DOI: 10.1002/qua.20979

  18. Use of a gaas microprobe tip pumped by circularly polarized light as a source of spin-polarized tunneling electrons

    Electronics and Communications in Japan (Part II: Electronics)

    Volume 85, Issue 5, May 2002, Pages: 21–28, Ryoichi Shinohara and Koichi Yamaguchi

    Version of Record online : 25 APR 2002, DOI: 10.1002/ecjb.1103

  19. Electron Densities: Population Analysis and Beyond

    Standard Article

    Encyclopedia of Physical Organic Chemistry

    Renato Contreras, Luis R. Domingo and Bernard Silvi

    Published Online : 9 APR 2017, DOI: 10.1002/9781118468586.epoc4003

  20. O deficiency in the rutile TiO2 (110) surface: Ab initio quantum chemical investigation of the electronic properties

    International Journal of Quantum Chemistry

    Volume 106, Issue 9, 2006, Pages: 2054–2064, G. U. Von Oertzen and A. R. Gerson

    Version of Record online : 22 MAR 2006, DOI: 10.1002/qua.21007