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There are 14945 results for: content related to: Constructing protein nano-fiber and estimation of the electronic state around metal ions

  1. You have free access to this content
    Density dynamics in some quantum systems

    International Journal of Quantum Chemistry

    Volume 113, Issue 13, 5 July 2013, Pages: 1747–1771, Munmun Khatua, Debdutta Chakraborty and Pratim Kumar Chattaraj

    Article first published online : 20 FEB 2013, DOI: 10.1002/qua.24402

  2. 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

    Article first published online : 7 APR 2012, DOI: 10.1002/qua.24087

  3. Expansion of a wave function in a Gaussian basis. I. Local versus global approximation

    International Journal of Quantum Chemistry

    Volume 113, Issue 3, 5 February 2013, Pages: 203–217, Werner Kutzelnigg

    Article first published online : 14 JUN 2012, DOI: 10.1002/qua.24224

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    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

    Article first published online : 22 AUG 2012, DOI: 10.1002/qua.24309

  5. Nonsingular constraints in time-dependent variational principle for parametrized wave functions

    International Journal of Quantum Chemistry

    Volume 113, Issue 2, 15 January 2013, Pages: 161–170, Katsuhisa Ohta

    Article first published online : 20 SEP 2012, DOI: 10.1002/qua.24325

  6. 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

    Article first published online : 28 FEB 2013, DOI: 10.1002/qua.24395

  7. Charge transfer in composites “dielectric + metal nanoparticles”: Effect of electric and magnetic fields

    International Journal of Quantum Chemistry

    Volume 112, Issue 17, 5 September 2012, Pages: 2904–2914, Mortko Kozhushner and Leonid Trakhtenberg

    Article first published online : 19 MAR 2012, DOI: 10.1002/qua.24073

  8. Unified treatment of exactly solvable quantum potentials with confluent hypergeometric eigenfunctions: Generalized potentials

    International Journal of Quantum Chemistry

    Volume 112, Issue 24, 15 December 2012, Pages: 3815–3821, J. J. Peña, J. Morales, J. García-Martínez and J. García-Ravelo

    Article first published online : 22 JUN 2012, DOI: 10.1002/qua.24238

  9. Explicit and implicit multi-center integrations

    International Journal of Quantum Chemistry

    Volume 113, Issue 10, 15 May 2013, Pages: 1573–1583, Wolfhard H. G. Koch

    Article first published online : 29 NOV 2012, DOI: 10.1002/qua.24363

  10. 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

    Article first published online : 9 MAY 2012, DOI: 10.1002/qua.24150

  11. The calculation of vibrational energy levels of polyatomic molecules including anharmonic effect using contact transformation perturbation method

    International Journal of Quantum Chemistry

    Volume 113, Issue 8, 15 April 2013, Pages: 1180–1191, M. Dehestani and Z. Kalantari

    Article first published online : 30 JUL 2012, DOI: 10.1002/qua.24232

  12. Hund's rule in the doubly excited states of the helium isoelectronic

    International Journal of Quantum Chemistry

    Volume 112, Issue 17, 5 September 2012, Pages: 2880–2893, Jacob Katriel and Spyros I. Themelis

    Article first published online : 6 FEB 2012, DOI: 10.1002/qua.24003

  13. A natural orbital functional based on an explicit approach of the two-electron cumulant

    International Journal of Quantum Chemistry

    Volume 113, Issue 5, 5 March 2013, Pages: 620–630, M. Piris

    Article first published online : 23 FEB 2012, DOI: 10.1002/qua.24020

  14. Statistical physics of a mesoscopic fermion system inside a rectangular box

    International Journal of Quantum Chemistry

    Volume 113, Issue 8, 15 April 2013, Pages: 1234–1242, Radu P. Lungu

    Article first published online : 14 APR 2012, DOI: 10.1002/qua.24128

  15. Modeling molecular interactions by analytic potentials: Analytic perturbation treatment

    International Journal of Quantum Chemistry

    Volume 112, Issue 18, 15 September 2012, Pages: 2986–2997, Eugene S. Kryachko

    Article first published online : 7 MAY 2012, DOI: 10.1002/qua.24136

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    Coherent quantum processes in thermal and nonequilibrium environments

    International Journal of Quantum Chemistry

    Volume 113, Issue 3, 5 February 2013, Pages: 316–325, Craig C. Martens

    Article first published online : 13 JUN 2012, DOI: 10.1002/qua.24129

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    Theoretical evaluation of sensitivity and thermal stability for high explosives based on quantum chemistry methods: A brief review

    International Journal of Quantum Chemistry

    Volume 113, Issue 8, 15 April 2013, Pages: 1049–1061, Qi-Long Yan and Svatopluk Zeman

    Article first published online : 15 JUN 2012, DOI: 10.1002/qua.24209

  18. Path integral approach to the calculation of reaction rates for a reaction coordinate coupled to a dual harmonic bath

    International Journal of Quantum Chemistry

    Volume 113, Issue 3, 5 February 2013, Pages: 306–315, Yonggang Yang and Oliver Kühn

    Article first published online : 23 FEB 2012, DOI: 10.1002/qua.24013

  19. Stationary polarons in discrete molecular chains

    International Journal of Quantum Chemistry

    Volume 113, Issue 10, 15 May 2013, Pages: 1522–1533, Dragan Toprek, Zoran Ivić, Darko Kapor and Sreten Lekić

    Article first published online : 15 NOV 2012, DOI: 10.1002/qua.24353

  20. Reconstructing interference fringes in slit experiments by complex quantum trajectories

    International Journal of Quantum Chemistry

    Volume 113, Issue 9, 5 May 2013, Pages: 1253–1263, Ciann-Dong Yang and Kuan-Chang Su

    Article first published online : 10 JUL 2012, DOI: 10.1002/qua.24269