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OnderzoekZernike (ZIAM)

Refereed academic publications of 2001

Theoretical Chemistry
  1. Dahlen, N.E. & Leeuwen, R.v. Double ionization of a two-electron system in the time- dependent extended Hartree-Fock approximation. Physical Review A 6402 (2) art-023405 (2001)

  2. de Boeij, P.L., Kootstra, F., Berger, J.A., Leeuwen, R.v. & Snijders, J.G. Current density functional theory for optical spectra: A polarization functional. Journal of Chemical Physics 115 (5) 1995-1999 (2001)

  3. de Boeij, P.L., Kootstra, F. & Snijders, J.G. Relativistic effects in the optical response of HgSe by time- dependent density functionals theory. International Journal of Quantum Chemistry 85 (4-5) 449-454 (2001)

  4. Grozema, F.C., Telesca, R., Jonkman, H.T., Siebbeles, L.D.A. & Snijders, J.G. Excited state polarizabilities of conjugated molecules calculated using time dependent density functional theory. Journal of Chemical Physics 115 (21) 10014-10021 (2001)

  5. Hozoi, L., de Vries, A.H. & Broer, R. X-ray spectroscopy at the MnK edge in LaMnO3: An ab initio study. Physical Review B 6416 (16) art-165104 (2001)

  6. Kongsted, J., Osted, A., Jensen, L., Astrand, P.O. & Mikkelsen, K.V. Frequency-dependent polarizability of boron nitride nanotubes: A theoretical study. Journal of Physical Chemistry B 105 (42) 10243-10248 (2001)

  7. Kootstra, F., de Boeij, P.L., Aissa, H. & Snijders, J.G. Relativistic effects on the optical response of InSb by time- dependent density-functional theory. Journal of Chemical Physics 114 (4) 1860-1865 (2001)

  8. la Cour Jansen, T., Snijders, J.G. & Duppen, K. Interaction induced effects in the nonlinear Raman response of liquid CS2: A finite field nonequilibrium molecular dynamics approach. Journal of Chemical Physics 114 (24) 10910-10921 (2001)

  9. Leeuwen, R.v. Key concepts in time-dependent density-functional theory. International Journal of Modern Physics B 15 (14) 1969-2023 (2001)

  10. Puranik, M., Umapathy, S., Snijders, J.G. & Chandrasekhar, J. Structure of the triplet excited state of bromanil from time- resolved resonance Raman spectra and simulation. Journal of Chemical Physics 115 (13) 6106-6114 (2001)

  11. Puranik, M., Chandrasekhar, J., Snijders, J.G. & Umapathy, S. Time-resolved resonance Raman and density functional studies on the ground state and short-lived intermediates of tetrabromo-p- benzoquinone. Journal of Physical Chemistry A 105 (46) 10562-10569 (2001)

  12. Swart, M., van Duijnen, P.T. & Snijders, J.G. A charge analysis derived from an atomic multipole expansion. Journal of Computational Chemistry 22 (1) 79-88 (2001)

  13. Swart, M., van den Bosch, M., Berendsen, H.J.C., Canters, G.W. & Snijders, J.G. Density functional theory and molecular dynamics results for copper proteins. Journal of Inorganic Biochemistry 86 (1) 445 (2001)

  14. Telesca, R., Bolink, H.J., Yunoki, S., Hadziioannou, G., van Duijnen, P.T., Snijders, J.G., Jonkman, H.T. & Sawatzky, G.A. Density-functional study of the evolution of the electronic structure of oligomers of thiophene: Towards a model Hamiltonian. Physical Review B 6315 (15) art-155112 (2001)

  15. Velde, G.t., Bickelhaupt, F.M., Baerends, E.J., Fonseca Guerra, C., van Gisbergen, S.J.A., Snijders, J.G. & Ziegler, T. Chemistry with ADF. Journal of Computational Chemistry 22 (9) 931-967 (2001)

  16. Wijers, C.M.J. & de Boeij, P.L. Nonlocality and discrete cellular methods in optics. Physica B 305 (3-4) 220-232 (2001)

  17. Zijlstra, R.W.J., Grozema, F.C., Swart, M., Feringa, B.L. & van Duijnen, P.T. Solvent induced charge separation in the excited states of symmetrical ethylene: A direct reaction field study. Journal of Physical Chemistry A 105 (14) 3583-3590 (2001)

Laatst gewijzigd:22 oktober 2012 14:30