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There are 19115 results for: content related to: Computational studies on the injection, transport, absorption, and phosphoresce properties of a series of cationic iridium (III) complexes [Ir(C∧N) 2 (L) 2 ] + (C∧N = ppy, tpy, dfppy, bzq)

  1. 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

  2. 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

  3. 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

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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. 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

  6. 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

  7. 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

  8. 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

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    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

  10. 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

  11. 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

  12. Theoretical studies of ground and excited electronic states in a series of heteroleptic iridium complexes using density functional theory

    International Journal of Quantum Chemistry

    Volume 112, Issue 11, 5 June 2012, Pages: 2422–2428, Yan Su and Li-Hua Kang

    Article first published online : 30 DEC 2011, DOI: 10.1002/qua.23262

  13. Efficient blue-emitting Ir(III) complexes with phenyl-methyl-benzimidazolyl and picolinate ligands: A DFT and time-dependent DFT study

    International Journal of Quantum Chemistry

    Volume 113, Issue 11, 5 June 2013, Pages: 1641–1649, Ming-Xing Song, Zhao-Min Hao, Zhi-Jian Wu, Shu-Yan Song, Liang Zhou, Rui-Ping Deng and Hong-Jie Zhang

    Article first published online : 8 JAN 2013, DOI: 10.1002/qua.24379

  14. Exact relations between the electron density and external potential for systems of interacting and noninteracting electrons

    International Journal of Quantum Chemistry

    Volume 113, Issue 11, 5 June 2013, Pages: 1626–1632, Ilya G. Ryabinkin and Viktor N. Staroverov

    Article first published online : 21 DEC 2012, DOI: 10.1002/qua.24374

  15. Translation of real solid spherical harmonics

    International Journal of Quantum Chemistry

    Volume 113, Issue 10, 15 May 2013, Pages: 1544–1548, Jaime Fernández Rico, Rafael López, Ignacio Ema and Guillermo Ramírez

    Article first published online : 29 OCT 2012, DOI: 10.1002/qua.24356

  16. Generalized oscillator strength of endohedral molecules

    International Journal of Quantum Chemistry

    Volume 112, Issue 18, 15 September 2012, Pages: 3119–3130, M. Ya. Amusia, L. V. Chernysheva and E. Z. Liverts

    Article first published online : 20 JUL 2012, DOI: 10.1002/qua.24293

  17. Unitary perturbation theory applied to multiconfigurational reference functions

    International Journal of Quantum Chemistry

    Volume 113, Issue 3, 5 February 2013, Pages: 230–238, Péter R. Nagy and Ágnes Szabados

    Article first published online : 18 APR 2012, DOI: 10.1002/qua.24103

  18. 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

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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

  20. Density functional theory and multicomponent wave functions

    International Journal of Quantum Chemistry

    Volume 113, Issue 5, 5 March 2013, Pages: 667–672, Jacek Karwowski

    Article first published online : 19 MAR 2012, DOI: 10.1002/qua.24037