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There are 23147 results for: content related to: Stationary polarons in discrete molecular chains

  1. Quantum dynamical manifolds: Pair states in high-temperature superconductivity

    International Journal of Quantum Chemistry

    Volume 99, Issue 5, 2004, Pages: 758–789, D. F. Scofield and T. C. Collins

    Version of Record online : 15 APR 2004, DOI: 10.1002/qua.20028

  2. Davydov's solitons in zigzag carbon nanotubes

    International Journal of Quantum Chemistry

    Volume 110, Issue 1, January 2010, Pages: 11–24, Larissa Brizhik, Alexander Eremko, Bernard Piette and Wojtek Zakrzewski

    Version of Record online : 3 JUN 2009, DOI: 10.1002/qua.22291

  3. You have free access to this content
    Spin in density-functional theory

    International Journal of Quantum Chemistry

    Volume 112, Issue 23, 5 December 2012, Pages: 3661–3684, Christoph R. Jacob and Markus Reiher

    Version of Record online : 22 AUG 2012, DOI: 10.1002/qua.24309

  4. Unpaired electrons at the second-order reduced density matrix level: Covalent bonding, and coulomb and fermi correlations in closed shell systems

    International Journal of Quantum Chemistry

    Volume 113, Issue 13, 5 July 2013, Pages: 1775–1786, Padeleimon Karafiloglou and Katerina Kyriakidou

    Version of Record online : 6 FEB 2013, DOI: 10.1002/qua.24399

  5. A generalized BEC picture of superconductors

    International Journal of Quantum Chemistry

    Volume 112, Issue 18, 15 September 2012, Pages: 3018–3024, M. Grether, M. de Llano and V. V. Tolmachev

    Version of Record online : 9 JUN 2012, DOI: 10.1002/qua.24193

  6. Study of simulation method of time evolution in rigged QED

    International Journal of Quantum Chemistry

    Volume 113, Issue 3, 5 February 2013, Pages: 190–202, Kazuhide Ichikawa, Masahiro Fukuda and Akitomo Tachibana

    Version of Record online : 7 APR 2012, DOI: 10.1002/qua.24087

  7. Some spin and spin-free aspects of coulomb correlation in molecules

    International Journal of Quantum Chemistry

    Volume 112, Issue 17, 5 September 2012, Pages: 2915–2923, A. V. Luzanov

    Version of Record online : 3 APR 2012, DOI: 10.1002/qua.24101

  8. Hydrogen isotope effects on covalent and noncovalent interactions: The case of protonated rare gas clusters

    International Journal of Quantum Chemistry

    Volume 113, Issue 10, 15 May 2013, Pages: 1556–1561, Félix Moncada, Lalita S. Uribe, Jonathan Romero and Andrés Reyes

    Version of Record online : 14 NOV 2012, DOI: 10.1002/qua.24360

  9. You have full text access to this OnlineOpen article
    First principles view on chemical compound space: Gaining rigorous atomistic control of molecular properties

    International Journal of Quantum Chemistry

    Volume 113, Issue 12, 15 June 2013, Pages: 1676–1689, O. Anatole von Lilienfeld

    Version of Record online : 26 FEB 2013, DOI: 10.1002/qua.24375

  10. Local HSAB rationalization of diels–alder reactions by means of ab initio and ABEEMσπ methods: Stereoselectivity and reaction rate

    International Journal of Quantum Chemistry

    Volume 113, Issue 8, 15 April 2013, Pages: 1116–1127, Dong-Xia Zhao, Zhen-Zhen Xu and Zhong-Zhi Yang

    Version of Record online : 24 MAY 2012, DOI: 10.1002/qua.24173

  11. Density functional theory study on magnetic interactions in the V3+ dimer complexes

    International Journal of Quantum Chemistry

    Volume 113, Issue 6, 15 March 2013, Pages: 745–752, Hidenori Suzuki and Chikatoshi Satoko

    Version of Record online : 21 MAR 2012, DOI: 10.1002/qua.24067

  12. Hartree–Fock calculation for excited states

    International Journal of Quantum Chemistry

    Volume 113, Issue 5, 5 March 2013, Pages: 690–693, M. Tassi, Iris Theophilou and S. Thanos

    Version of Record online : 12 MAR 2012, DOI: 10.1002/qua.24049

  13. Effects of impurities on polaron dynamics in conjugated polymers: Effective potentials

    International Journal of Quantum Chemistry

    Volume 106, Issue 13, 2006, Pages: 2597–2602, Matheus Paes Lima and Geraldo Magela E Silva

    Version of Record online : 15 FEB 2006, DOI: 10.1002/qua.20960

  14. Some formal properties of ensemble density functionals

    International Journal of Quantum Chemistry

    Volume 113, Issue 8, 15 April 2013, Pages: 1076–1085, Daniel P. Joubert

    Version of Record online : 9 MAY 2012, DOI: 10.1002/qua.24150

  15. Nonstationarity and related measures for time-dependent hartree–fock and multiconfigurational models

    International Journal of Quantum Chemistry

    Volume 113, Issue 23, 5 December 2013, Pages: 2489–2505, Anatoliy V. Luzanov

    Version of Record online : 9 JUN 2013, DOI: 10.1002/qua.24487

  16. Deep nuclear resonant tunneling thermal rate constant calculations

    International Journal of Quantum Chemistry

    Volume 113, Issue 12, 15 June 2013, Pages: 1722–1734, Salvatore Mandrà, Stéphanie Valleau and Michele Ceotto

    Version of Record online : 28 FEB 2013, DOI: 10.1002/qua.24395

  17. Reply to the comment by Vignale et al

    International Journal of Quantum Chemistry

    Volume 113, Issue 9, 5 May 2013, Pages: 1424–1425, Xiao-Yin Pan and Viraht Sahni

    Version of Record online : 12 OCT 2012, DOI: 10.1002/qua.24326

  18. On spin wavefunctions and young orthogonal matrices

    International Journal of Quantum Chemistry

    Volume 113, Issue 10, 15 May 2013, Pages: 1436–1439, Vladimir A. Yurovsky

    Version of Record online : 12 OCT 2012, DOI: 10.1002/qua.24337

    Corrected by:

    Erratum: Erratum: On spin wavefunctions and young orthogonal matrices

    Vol. 115, Issue 14, 907, Version of Record online: 6 MAR 2015

  19. Photoabsorption spectroscopy of dimethyl sulfoxide at the O1s, C1s, S2s, and S2p Regions: A comparison with acetone

    International Journal of Quantum Chemistry

    Volume 112, Issue 20, 15 October 2012, Pages: 3421–3433, Thays C. M. Leite, Ana L. F. de Barros, Glaucio B. Ferreira, Antonio C. O. Guerra and Cássia C. Turci

    Version of Record online : 6 AUG 2012, DOI: 10.1002/qua.24285

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    Rung 3.5 density functionals: Another step on Jacob's ladder

    International Journal of Quantum Chemistry

    Volume 113, Issue 2, 15 January 2013, Pages: 83–88, Benjamin G. Janesko

    Version of Record online : 26 JUN 2012, DOI: 10.1002/qua.24256