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There are 5312 results for: content related to: Electronic and geometric characteristics of precrystalline structures in highly dispersed Rh catalysts

  1. Semiempirical Molecular Orbital Methods

    Reviews in Computational Chemistry, Volume 2

    Kenny B. Lipkowitz, Donald B. Boyd, Pages: 313–365, 2007

    Published Online : 5 JAN 2007, DOI: 10.1002/9780470125793.ch8

  2. You have free access to this content
    Appendix: Books Published on the Topics of Computational Chemistry

    Reviews in Computational Chemistry, Volume 17

    Kenny B. Lipkowitz, Donald B. Boyd, Pages: 255–357, 2001

    Published Online : 26 DEC 2001, DOI: 10.1002/0471224413.app

  3. Intermediate neglect of differential overlap for spectroscopy

    Wiley Interdisciplinary Reviews: Computational Molecular Science

    Volume 3, Issue 5, September/October 2013, Pages: 515–527, Alexander A. Voityuk

    Version of Record online : 9 JAN 2013, DOI: 10.1002/wcms.1141

  4. Studies on the hydrogenation steps of the nitrogen molecule at the Azotobacter vinelandii nitrogenase site

    International Journal of Quantum Chemistry

    Volume 70, Issue 6, 1998, Pages: 1159–1168, Krassimir K. Stavrev and Michael C. Zerner

    Version of Record online : 7 DEC 1998, DOI: 10.1002/(SICI)1097-461X(1998)70:6<1159::AID-QUA5>3.0.CO;2-Z

  5. Studies on CO bonding to Rh clusters using an intermediate neglect of differential overlap theory to model heterogeneous catalytic reactions

    International Journal of Quantum Chemistry

    Volume 44, Issue S26, 14/21 March 1992, Pages: 587–604, Guillermina L. Estiu and Michael C. Zerner

    Version of Record online : 19 OCT 2004, DOI: 10.1002/qua.560440853

  6. A Theoretical Model for the Active Site of Nitrogenase

    Chemistry - A European Journal

    Volume 2, Issue 1, January 1996, Pages: 83–87, Krassimir K. Stavrev and Michael C. Zerner

    Version of Record online : 21 JAN 2006, DOI: 10.1002/chem.19960020115

  7. The three-center bond model for molecular electronic structure

    International Journal of Quantum Chemistry

    Volume 26, Issue S18, 1/15 March 1984, Pages: 439–448, John M. Cullen, William N. Lipscomb and Michael C. Zerner

    Version of Record online : 16 APR 2008, DOI: 10.1002/qua.560260840

  8. On the agostic interaction in lanthanide phenylene complexes: An INDO study of [(Cpmath imageM)2C6H4] (M = Sc, Lu) employing an energy-partitioning analysis

    International Journal of Quantum Chemistry

    Volume 44, Issue 5, 5 November 1992, Pages: 853–867, V. Jahns, S. Köstlmeier, M. Kotzian, N. Röusch and P. L. Watson

    Version of Record online : 19 OCT 2004, DOI: 10.1002/qua.560440514

  9. Solvent effects on the electronic spectrum of Reichardt's dye

    International Journal of Quantum Chemistry

    Volume 52, Issue S28, 12/19 February 1994, Pages: 361–377, Ricardo Bicca De Alencastro, Joaquim D. Da Motta Neto and Michael C. Zerner

    Version of Record online : 21 SEP 2004, DOI: 10.1002/qua.560520836

  10. Perturbation–variational methods revisited

    International Journal of Quantum Chemistry

    Volume 47, Issue 2, 15 July 1993, Pages: 103–118, Monique Revoredo Chacon and Michael C. Zerner

    Version of Record online : 19 OCT 2004, DOI: 10.1002/qua.560470202

  11. An examination of the electronic structure and spectroscopy of high- and low-spin model ferredoxin via several SCF and CI techniques

    International Journal of Quantum Chemistry

    Volume 63, Issue 3, 1997, Pages: 781–795, Marshall G. Cory, Krassimir K. Stavrev and Michael C. Zerner

    Version of Record online : 6 DEC 1998, DOI: 10.1002/(SICI)1097-461X(1997)63:3<781::AID-QUA18>3.0.CO;2-7

  12. Localized bond model for molecular energy to fourth order in perturbation theory

    International Journal of Quantum Chemistry

    Volume 22, Issue 3, September 1982, Pages: 497–535, John M. Cullen and Michael C. Zerner

    Version of Record online : 19 OCT 2004, DOI: 10.1002/qua.560220305

  13. Calculating ESR G tensors of doublet radicals by the semiempirical INDO/S method

    International Journal of Quantum Chemistry

    Volume 75, Issue 4-5, 1999, Pages: 577–584, Ya-Wen Hsiao and Michael C. Zerner

    Version of Record online : 29 OCT 1999, DOI: 10.1002/(SICI)1097-461X(1999)75:4/5<577::AID-QUA22>3.0.CO;2-P

  14. An examination of perturbation–variational theory and scaling at fifth order

    International Journal of Quantum Chemistry

    Volume 33, Issue 5, May 1988, Pages: 373–394, John M. Cullen and Michael C. Zerner

    Version of Record online : 19 OCT 2004, DOI: 10.1002/qua.560330502

  15. Electronic structure of model chlorophyll systems

    International Journal of Quantum Chemistry

    Volume 23, Issue 4, April 1983, Pages: 1407–1432, W. Daniel Edwards and Michael C. Zerner

    Version of Record online : 19 OCT 2004, DOI: 10.1002/qua.560230424

  16. Method of calculating band shape for molecular electronic spectra

    Journal of Computational Chemistry

    Volume 19, Issue 7, May 1998, Pages: 781–796, Greg M. Pearl, M. C. Zerner, Anders Broo and John McKelvey

    Version of Record online : 7 DEC 1998, DOI: 10.1002/(SICI)1096-987X(199805)19:7<781::AID-JCC8>3.0.CO;2-M

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    Bibliography of Michael C. Zerner

    International Journal of Quantum Chemistry

    Volume 77, Issue 1, 2000, Pages: 3–15,

    Version of Record online : 10 MAR 2000, DOI: 10.1002/(SICI)1097-461X(2000)77:1<3::AID-QUA3>3.0.CO;2-I

  18. An intermediate neglect of differential overlap model for second-row transition metal species

    International Journal of Quantum Chemistry

    Volume 39, Issue 1, January 1991, Pages: 31–45, Wayne P. Anderson, Thomas R. Cundari and Michael C. Zerner

    Version of Record online : 19 OCT 2004, DOI: 10.1002/qua.560390106

  19. Calculation of 13C-NMR chemical shift using the intermediate neglect of differential overlap model

    International Journal of Quantum Chemistry

    Volume 43, Issue 3, 20 July 1992, Pages: 327–342, John David Baker and Michael C. Zerner

    Version of Record online : 19 OCT 2004, DOI: 10.1002/qua.560430304

  20. Reconsideration of solvent effects calculated by semiempirical quantum chemical methods

    Journal of Computational Chemistry

    Volume 14, Issue 3, March 1993, Pages: 371–377, Miroslaw Szafran, Mati M. Karelson, Alan R. Katritzky, Jacek Koput and Michael C. Zerner

    Version of Record online : 7 SEP 2004, DOI: 10.1002/jcc.540140312