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There are 757684 results for: content related to: Experiments pursuant to determining the barrier traversal time for quantum tunneling

  1. Helical region of the potential energy surface of α-aminoisobutyric acid: A theoretical study

    International Journal of Quantum Chemistry

    Volume 47, Issue 3, 5 August 1993, Pages: 231–238, Carlos Alemán and Juan J. Perez

    Article first published online : 19 OCT 2004, DOI: 10.1002/qua.560470307

  2. A molecular dynamics study of large-scale reversible aggregation of anisotropic particles

    International Journal of Quantum Chemistry

    Volume 42, Issue 5, 5 June 1992, Pages: 1171–1184, F. Brugè, V. Martorana, S. L. Fornili and M. B. Palma-Vittorelli

    Article first published online : 19 OCT 2004, DOI: 10.1002/qua.560420507

  3. Electronic structure of poly(pyrrole–thiophene) copolymers: Design of polymeric quasi-one-dimensional superlattices

    International Journal of Quantum Chemistry

    Volume 42, Issue 4, 20 May 1992, Pages: 997–1008, A. K. Bakhshi and J. Ladik

    Article first published online : 19 OCT 2004, DOI: 10.1002/qua.560420433

  4. Molecular equilibrium geometries and vibrational frequencies by maximum overlap symmetry molecular orbital method

    International Journal of Quantum Chemistry

    Volume 41, Issue 6, 20 March 1992, Pages: 773–783, Chang-Guo Zhan

    Article first published online : 19 OCT 2004, DOI: 10.1002/qua.560410603

  5. Papain in aqueous solution and the role of Asp-158 in the mechanism: An Ab InitioSCF + DRF + BEM study

    International Journal of Quantum Chemistry

    Volume 40, Issue S18, 1991, Pages: 49–59, J. P. Dijkman and P. Th. Van Duijnen

    Article first published online : 19 OCT 2004, DOI: 10.1002/qua.560400710

  6. Investigation of the correlation energy component of the intermolecular interaction energy

    International Journal of Quantum Chemistry

    Volume 48, Issue S27, 13/20 March 1993, Pages: 43–50, E. Kapuy, F. Bogár, C. Kozmutza and E. Tfirst

    Article first published online : 19 OCT 2004, DOI: 10.1002/qua.560480808

  7. Molecular structure and function

    International Journal of Quantum Chemistry

    Volume 40, Issue S25, 1991, Pages: 1–8, William N. Lipscomb

    Article first published online : 19 OCT 2004, DOI: 10.1002/qua.560400806

  8. On the role of polarization functions in SCF calculations of glycine and related systems with intramolecular hydrogen bonding

    International Journal of Quantum Chemistry

    Volume 44, Issue S19, 14/21 March 1992, Pages: 15–26, Michael Ramek and Vincent K. W. Cheng

    Article first published online : 19 OCT 2004, DOI: 10.1002/qua.560440706

  9. Electronic structure and hyperpolarizability of some conjugated molecules in excited states

    International Journal of Quantum Chemistry

    Volume 48, Issue 5, 5 December 1993, Pages: 333–342, Ivo Kanev

    Article first published online : 19 OCT 2004, DOI: 10.1002/qua.560480507

  10. Phase associated with the single-particle density of many-electron systems

    International Journal of Quantum Chemistry

    Volume 40, Issue 4, October 1991, Pages: 501–510, N. Sukumar and B. M. Deb

    Article first published online : 19 OCT 2004, DOI: 10.1002/qua.560400406

  11. A molecular orbital treatment of the electronic spectra of some tryptamines

    International Journal of Quantum Chemistry

    Volume 44, Issue 3, 30 September 1992, Pages: 379–392, Maher M. Hamed, Rafie H. Abu-Eittah, Zein Mobark and Mohamed M. Abdou

    Article first published online : 19 OCT 2004, DOI: 10.1002/qua.560440306

  12. Stable electronic energy levels in the presence of off-diagonal disorder

    International Journal of Quantum Chemistry

    Volume 48, Issue 2, 15 October 1993, Pages: 135–146, István László

    Article first published online : 19 OCT 2004, DOI: 10.1002/qua.560480206

  13. The tautomers of uracil: A local correlation treatment

    International Journal of Quantum Chemistry

    Volume 47, Issue 1, 5 July 1993, Pages: 49–58, James W. Boughton and Peter Pulay

    Article first published online : 19 OCT 2004, DOI: 10.1002/qua.560470104

  14. Molecular structure and function

    International Journal of Quantum Chemistry

    Volume 40, Issue S18, 1991, Pages: 1–8, William N. Lipscomb

    Article first published online : 19 OCT 2004, DOI: 10.1002/qua.560400706

  15. Geometrical, spectroscopic, and magnetic properties of an oxygen atom adsorbed on the Ni(100) surface

    International Journal of Quantum Chemistry

    Volume 48, Issue 5, 5 December 1993, Pages: 277–286, Annick Goursot, Franca Mele, Nino Russo, Dennis R. Salahub and Marirosa Toscano

    Article first published online : 19 OCT 2004, DOI: 10.1002/qua.560480502

  16. Theoretical study of the reaction of Cd(1S, 3P, 1P) with the methane molecule

    International Journal of Quantum Chemistry

    Volume 48, Issue S27, 13/20 March 1993, Pages: 587–598, S. Castillo, A. Ramírez-solís and E. Poulain

    Article first published online : 19 OCT 2004, DOI: 10.1002/qua.560480853

  17. Shape analysis along reaction paths of ring opening reactions

    International Journal of Quantum Chemistry

    Volume 40, Issue S25, 1991, Pages: 335–345, Xincai Luo, Gustavo A. Arteca and Paul G. Mezey

    Article first published online : 19 OCT 2004, DOI: 10.1002/qua.560400833

  18. Ab initio SCF investigation of the potential energy surface of 4-aminobutanol

    International Journal of Quantum Chemistry

    Volume 48, Issue S27, 13/20 March 1993, Pages: 479–490, Anne-Marie Kelterer and Michael Ramek

    Article first published online : 19 OCT 2004, DOI: 10.1002/qua.560480846

  19. Redshifts and blueshifts of OH vibrations

    International Journal of Quantum Chemistry

    Volume 45, Issue 6, 1993, Pages: 747–758, Kersti Hermansson

    Article first published online : 19 OCT 2004, DOI: 10.1002/qua.560450621

  20. Accurate second-order correlation energies for Mg and Ar

    International Journal of Quantum Chemistry

    Volume 45, Issue 6, 1993, Pages: 563–572, Jesús R. Flores and Pilar Redondo

    Article first published online : 19 OCT 2004, DOI: 10.1002/qua.560450607