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There are 12175 results for: content related to: Theory of chemical bonds in metalloenzymes. XVII. Symmetry breaking in manganese cluster structures and chameleonic mechanisms for the O[BOND]O bond formation of water splitting reaction

  1. Whittaker–Hill equation, Ince polynomials, and molecular torsional modes

    International Journal of Quantum Chemistry

    Volume 110, Issue 3, 5 March 2010, Pages: 716–730, Luiz F. Roncaratti and Vincenzo Aquilanti

    Article first published online : 26 AUG 2009, DOI: 10.1002/qua.22255

  2. 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

  3. 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

  4. 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

  5. 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

  6. 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

  7. 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

  8. 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

  9. 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

  10. 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

  11. 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

  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. 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

  14. Correlated one-electron wave functions

    International Journal of Quantum Chemistry

    Volume 104, Issue 3, 2005, Pages: 299–327, B. Weiner and J. V. Ortiz

    Article first published online : 28 APR 2005, DOI: 10.1002/qua.20607

  15. Electronic quantum motions in hydrogen molecule ion

    International Journal of Quantum Chemistry

    Volume 111, Issue 12, October 2011, Pages: 2980–2999, Ciann-Dong Yang and Hung-Jen Weng

    Article first published online : 10 JUN 2010, DOI: 10.1002/qua.22608

  16. DFT energy derivatives and their renormalization in molecular vibrations

    International Journal of Quantum Chemistry

    Volume 101, Issue 6, 2005, Pages: 703–713, Piotr Ordon and Ludwik Komorowski

    Article first published online : 1 NOV 2004, DOI: 10.1002/qua.20327

  17. Quantum analogue of the Kolmogorov–Arnold–Moser transition in different quantum anharmonic oscillators

    International Journal of Quantum Chemistry

    Volume 100, Issue 3, 2004, Pages: 254–276, P. K. Chattaraj, B. Maiti and S. Sengupta

    Article first published online : 30 JUL 2004, DOI: 10.1002/qua.20161

  18. New index functions for storing Gaunt coefficients

    International Journal of Quantum Chemistry

    Volume 107, Issue 12, 2007, Pages: 2186–2196, Didier Pinchon and Philip E. Hoggan

    Article first published online : 17 APR 2007, DOI: 10.1002/qua.21337

  19. Density of electron states in crystalline systems calculated in the presence and absence of the magnetic field

    International Journal of Quantum Chemistry

    Volume 107, Issue 5, 2007, Pages: 1223–1240, S. Olszewski and T. Roliński

    Article first published online : 20 NOV 2006, DOI: 10.1002/qua.21245

  20. Population inversion, temperature, and photon distributions of the generalized fermionic Ising ferromagnetic model: Path-integral representation of the spin system

    International Journal of Quantum Chemistry

    Volume 106, Issue 8, 2006, Pages: 1769–1781, Horacio Grinberg

    Article first published online : 3 MAR 2006, DOI: 10.1002/qua.20975