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There are 28192 results for: content related to: Electronic structure and coordination chemistry of phenanthridine ligand in first-row transition metal complexes: A DFT study

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    Index

    Chemistry of Heterocyclic Compounds: Six Membered Heterocyclic Nitrogen Compounds with Three Condensed Rings, Volume 12

    C. F. H. Allen, Pages: 571–624, 2008

    Published Online : 2 JAN 2008, DOI: 10.1002/9780470186619.index

  2. 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

  3. 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

    Article first published online : 6 AUG 2012, DOI: 10.1002/qua.24285

  4. Bondpseudorotation, Jahn-Teller, and pseudo-Jahn-Teller effects in the cyclopentadienyl cation and its pentahalogeno derivatives

    International Journal of Quantum Chemistry

    Volume 112, Issue 20, 15 October 2012, Pages: 3277–3288, Wenli Zou, Michael Filatov and Dieter Cremer

    Article first published online : 27 APR 2012, DOI: 10.1002/qua.24116

  5. 5-Azaphenanthrenes

    Chemistry of Heterocyclic Compounds: Six Membered Heterocyclic Nitrogen Compounds with Three Condensed Rings, Volume 12

    C. F. H. Allen, Pages: 271–319, 2008

    Published Online : 2 JAN 2008, DOI: 10.1002/9780470186619.ch5

  6. Syntheses of benzo[b]- and benzo[j]phenanthridines

    Journal of Heterocyclic Chemistry

    Volume 2, Issue 1, March 1965, Pages: 15–20, L. H. Klemm and Annekäte Weisert

    Article first published online : 6 MAY 2009, DOI: 10.1002/jhet.5570020104

  7. 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

    Article first published online : 21 MAR 2012, DOI: 10.1002/qua.24067

  8. 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

    Article first published online : 12 MAR 2012, DOI: 10.1002/qua.24049

  9. Antidot effects on the open-shell characters and second hyperpolarizabilities of rectangular graphene nanoflakes

    International Journal of Quantum Chemistry

    Volume 113, Issue 4, 15 February 2013, Pages: 605–611, Kyohei Yoneda, Shu Minamide, Taishi Yamada, Soichi Ito, Takuya Minami, Ryohei Kishi, Yasuteru Shigeta and Masayoshi Nakano

    Article first published online : 7 APR 2012, DOI: 10.1002/qua.24089

  10. Analysis of chemical bonding in electronic excited states using parity function

    International Journal of Quantum Chemistry

    Volume 108, Issue 1, 2008, Pages: 1–14, Eugene S. Kadantsev and Hartmut L. Schmider

    Article first published online : 4 JUN 2007, DOI: 10.1002/qua.21407

  11. Synthesis and Biological Activities of Novel 6-Alkylamino-11,12-dihydro-11-arylbenzo[c]phenanthridine Derivatives

    Journal of Heterocyclic Chemistry

    Min Zhang, Li Liu, Huifeng Xiao, Ting Zhao, Liuqing Yang and Xiaohua Xu

    Article first published online : 17 MAR 2015, DOI: 10.1002/jhet.2410

  12. 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

  13. Influence of intermolecular interactions on spectral-luminescent properties of a polyatomic molecule

    International Journal of Quantum Chemistry

    Volume 112, Issue 18, 15 September 2012, Pages: 3039–3045, Platon Valerievich Komarov and Viktor Georgievich Plotnikov

    Article first published online : 8 JUN 2012, DOI: 10.1002/qua.24220

  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. Current-density functional study of the HeH+ molecular ion under a strong ultrashort magnetic field

    International Journal of Quantum Chemistry

    Volume 113, Issue 2, 15 January 2013, Pages: 139–147, Vikas

    Article first published online : 3 AUG 2012, DOI: 10.1002/qua.24305

  16. Theory of variational calculation with a scaling correct moment functional to solve the electronic schrödinger equation directly for ground state one-electron density and electronic energy

    International Journal of Quantum Chemistry

    Volume 113, Issue 10, 15 May 2013, Pages: 1479–1492, Sandor Kristyan

    Article first published online : 18 OCT 2012, DOI: 10.1002/qua.24345

  17. Comment on “density and physical current density functional theory” by Xiao-Yin Pan and Viraht Sahni

    International Journal of Quantum Chemistry

    Volume 113, Issue 9, 5 May 2013, Pages: 1422–1423, Giovanni Vignale, Carsten A. Ullrich and Klaus Capelle

    Article first published online : 18 OCT 2012, DOI: 10.1002/qua.24327

  18. 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

  19. 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