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There are 2973802 results for: content related to: Molecular conductance in relation to inverse transport theory and to chemical bond order

  1. Impurity hamiltonian for transition metal complexes based on the exact exchange for correlated electrons hybrid functional

    International Journal of Quantum Chemistry

    Volume 112, Issue 15, 5 August 2012, Pages: 2691–2700, Mykhaylo Krykunov

    Article first published online : 29 DEC 2011, DOI: 10.1002/qua.23283

  2. On the importance of orbital localization in QC-DMRG calculations

    International Journal of Quantum Chemistry

    Volume 112, Issue 6, 15 March 2012, Pages: 1606–1619, Alexander O. Mitrushchenkov, Guido Fano, Roberto Linguerri and Paolo Palmieri

    Article first published online : 29 DEC 2011, DOI: 10.1002/qua.23173

  3. An algebraic approach to the collinear collision N2 + N2 in the semiclassical approximation

    International Journal of Quantum Chemistry

    Volume 112, Issue 1, January 2012, Pages: 16–27, R. D. Santiago, O. Álvarez-Bajo, J. M. Arias, J. Gómez-Camacho and R. Lemus

    Article first published online : 31 MAY 2011, DOI: 10.1002/qua.23144

  4. Coupled-cluster theory for the polarizable continuum model. III. A response theory for molecules in solution

    International Journal of Quantum Chemistry

    Volume 112, Issue 13, 5 July 2012, Pages: 2547–2560, R. Cammi

    Article first published online : 21 JAN 2012, DOI: 10.1002/qua.23271

  5. Direct (through-space) and indirect (through-bridge) components of the chemical bond multiplicities

    International Journal of Quantum Chemistry

    Volume 112, Issue 11, 5 June 2012, Pages: 2355–2370, Roman F. Nalewajski

    Article first published online : 7 SEP 2011, DOI: 10.1002/qua.23217

  6. Gauge function optimization 2: An accurately solvable model

    International Journal of Quantum Chemistry

    Volume 112, Issue 6, 15 March 2012, Pages: 1620–1641, Atsushi Kubo

    Article first published online : 11 JUL 2011, DOI: 10.1002/qua.23176

  7. Electron pairing in one-dimensional anharmonic crystal lattices

    International Journal of Quantum Chemistry

    Volume 112, Issue 2, 15 January 2012, Pages: 551–565, M. G. Velarde, L. Brizhik, A. P. Chetverikov, L. Cruzeiro, W. Ebeling and G. Röpke

    Article first published online : 8 MAR 2011, DOI: 10.1002/qua.23008

  8. Asymptotic analysis of the localization spread and polarizability of 1-D noninteracting electrons

    International Journal of Quantum Chemistry

    Volume 112, Issue 3, 5 February 2012, Pages: 653–664, Gian Luigi Bendazzoli, Stefano Evangelisti and Antonio Monari

    Article first published online : 4 APR 2011, DOI: 10.1002/qua.23036

  9. Density functional theory on phase space

    International Journal of Quantum Chemistry

    Volume 112, Issue 4, 5 February 2012, Pages: 1134–1164, Philippe Blanchard, José M. Gracia-Bond7iacute;a and Joseph C. Várilly

    Article first published online : 6 MAY 2011, DOI: 10.1002/qua.23101

  10. Exploring sequential quantum adiabatic switching across supersymmetric partners for finding the eigenstates of a system

    International Journal of Quantum Chemistry

    Volume 112, Issue 12, 15 June 2012, Pages: 2463–2474, Susmita Kar and S. P. Bhattacharyya

    Article first published online : 29 DEC 2011, DOI: 10.1002/qua.23267

  11. Electric and magnetic dipole shielding constants for the ground state of the relativistic hydrogen-like atom: Application of the Sturmian expansion of the generalized Dirac-Coulomb Green function

    International Journal of Quantum Chemistry

    Volume 112, Issue 5, 5 March 2012, Pages: 1363–1372, Patrycja Stefańska and Radosław Szmytkowski

    Article first published online : 11 MAY 2011, DOI: 10.1002/qua.23108

  12. Quartic lattice interactions, soliton-like excitations, and electron pairing in one-dimensional anharmonic crystals

    International Journal of Quantum Chemistry

    Volume 112, Issue 13, 5 July 2012, Pages: 2591–2598, M. G. Velarde, L. Brizhik, A. P. Chetverikov, L. Cruzeiro, W. Ebeling and G. Röpke

    Article first published online : 29 DEC 2011, DOI: 10.1002/qua.23282

  13. Exact S-wave solution of the trigonometric pöschl-teller potential

    International Journal of Quantum Chemistry

    Volume 112, Issue 6, 15 March 2012, Pages: 1592–1597, M. Hamzavi and A. A. Rajabi

    Article first published online : 11 JUL 2011, DOI: 10.1002/qua.23166

  14. Inequalities for phase-space Rényi entropies

    International Journal of Quantum Chemistry

    Volume 112, Issue 5, 5 March 2012, Pages: 1285–1290, I. Hornyák and Á. Nagy

    Article first published online : 11 MAY 2011, DOI: 10.1002/qua.23126

  15. The rotation-vibration spectrum of diatomic molecules with the tietz-hua rotating oscillator

    International Journal of Quantum Chemistry

    Volume 112, Issue 15, 5 August 2012, Pages: 2701–2705, M. Hamzavi, A. A. Rajabi and K.-E. Thylwe

    Article first published online : 29 DEC 2011, DOI: 10.1002/qua.23285

  16. Exactly solvable schrödinger equation for a class of multiparameter exponential-type potentials

    International Journal of Quantum Chemistry

    Volume 112, Issue 1, January 2012, Pages: 195–200, J. García-Martínez, J. García-Ravelo, J. Morales and J. J. Peña

    Article first published online : 13 OCT 2011, DOI: 10.1002/qua.23204

  17. Critical charges of simple coulomb molecular systems: One-two electron case

    International Journal of Quantum Chemistry

    Volume 112, Issue 11, 5 June 2012, Pages: 2411–2421, A. V. Turbiner and H. Medel Cobaxin

    Article first published online : 2 NOV 2011, DOI: 10.1002/qua.23226

  18. Wigner crystallization of quadratically dispersing electrons in graphene

    International Journal of Quantum Chemistry

    Volume 112, Issue 6, 15 March 2012, Pages: 1725–1736, Kombiah Iyakutti, Velappa Jayaraman Surya, Ratnavelu Rajeswarapalanichamy and Yoshiyuki Kawazoe

    Article first published online : 11 JUL 2011, DOI: 10.1002/qua.23172

  19. Calculation of electric multipole moment integrals with the different screening parameters via the Fourier transform method

    International Journal of Quantum Chemistry

    Volume 112, Issue 2, 15 January 2012, Pages: 414–425, N. Yükçü, İ. Şenlik and E. Öztekin

    Article first published online : 8 MAR 2011, DOI: 10.1002/qua.23033

  20. The Rayleigh-Schrödinger perturbation series of quasi-degenerate systems

    International Journal of Quantum Chemistry

    Volume 112, Issue 10, 15 May 2012, Pages: 2256–2266, Christian Brouder, Gérard H.E. Duchamp, Frédéric Patras and Gábor Z. Tóth

    Article first published online : 13 SEP 2011, DOI: 10.1002/qua.23201