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• catalog contributor b11946070.
• catalog contributor b11946071.
• catalog created "c2000.".
• catalog date "2000".
• catalog date "c2000.".
• catalog dateCopyrighted "c2000.".
• catalog description "Includes bibliographical references and index.".
• catalog description "Perturbation theory, effective Hamiltonians and force constants / Kamil Sarka and Jean Demaison -- Variational calculations of rotation-vibration spectra / Jonathan Tennyson -- Highly excited states and local modes / Lauri Halonen -- The vibrational self-consistent field approach and extensions : method and applications to spectroscopy of large molecules and clusters / R. Benny Gerber and Joon O. Jung -- The calculation of rotation-vibration energies for molecules with large amplitude vibrations / Jan Makarewicz -- Rearrangements and tunneling splittings of small water clusters / David J. Wales -- Vibronic energies and the breakdown of the Born-Oppenheimer approximation in diatomic molecules : adiabatic and diabatic representations / David R. Yarkony -- The Renner effect / Per Jensen, Gerald Osmann and Philip R. Bunker -- The Renner-Teller effect : the effective Hamiltonian approach / John M. Brown -- ".
• catalog description "Spin-orbit coupling and the Jahn-Teller effect : vibronic and spin-vibronic angular momenta / Timothy A. Barckholtz and Terry A. Miller -- Semiclassical resonance approximations and wavepacket techniques / Mark S. Child -- Forming superposition states / Tamar Seideman -- Ab initio molecular dynamics / John S. Tse and Roger Rousseau.".
• catalog description "The Born-Oppenheimer approximation / Philip R. Bunker and Per Jensen -- Ab initio determination of accurate ground electronic state potential energy hypersurfaces for small molecules / Attila G. Császár [and others] -- Symmetry adapted perturbation theory applied to the computation of intermolecular forces / Robert Moszynski, Paul E.S. Wormer and Ad van der Avoird -- The structure and electronic states of transition metal molecules and cluster compounds by means of DFT calculations and ZEKE spectroscopy / Attila Bérces, Marek Z. Zgierski and Dong-Sheng Yang -- Ab initio calculations of excited state potential functions / Robert J. Buenker [and others] -- Relativistic effects in the calculation of electronic energies / Bernd Artur Hess and Christel Maria Marian -- The ab initio calculation of molecular properties other than the potential energy surface / Stephan P.A. Sauer and Martin J. Packer -- ".
• catalog extent "xiv, 670 p. :".
• catalog hasFormat "Computational molecular spectroscopy.".
• catalog identifier "0471489980 (alk. paper)".
• catalog isFormatOf "Computational molecular spectroscopy.".
• catalog issued "2000".
• catalog issued "c2000.".
• catalog language "eng".
• catalog publisher "Chichester ; New York : Wiley,".
• catalog relation "Computational molecular spectroscopy.".
• catalog subject "541.2/8 21".
• catalog subject "Molecular dynamics.".
• catalog subject "Molecular spectroscopy.".
• catalog subject "QD462 .C653 2000".
• catalog subject "Quantum chemistry.".
• catalog tableOfContents "Perturbation theory, effective Hamiltonians and force constants / Kamil Sarka and Jean Demaison -- Variational calculations of rotation-vibration spectra / Jonathan Tennyson -- Highly excited states and local modes / Lauri Halonen -- The vibrational self-consistent field approach and extensions : method and applications to spectroscopy of large molecules and clusters / R. Benny Gerber and Joon O. Jung -- The calculation of rotation-vibration energies for molecules with large amplitude vibrations / Jan Makarewicz -- Rearrangements and tunneling splittings of small water clusters / David J. Wales -- Vibronic energies and the breakdown of the Born-Oppenheimer approximation in diatomic molecules : adiabatic and diabatic representations / David R. Yarkony -- The Renner effect / Per Jensen, Gerald Osmann and Philip R. Bunker -- The Renner-Teller effect : the effective Hamiltonian approach / John M. Brown -- ".
• catalog tableOfContents "Spin-orbit coupling and the Jahn-Teller effect : vibronic and spin-vibronic angular momenta / Timothy A. Barckholtz and Terry A. Miller -- Semiclassical resonance approximations and wavepacket techniques / Mark S. Child -- Forming superposition states / Tamar Seideman -- Ab initio molecular dynamics / John S. Tse and Roger Rousseau.".
• catalog tableOfContents "The Born-Oppenheimer approximation / Philip R. Bunker and Per Jensen -- Ab initio determination of accurate ground electronic state potential energy hypersurfaces for small molecules / Attila G. Császár [and others] -- Symmetry adapted perturbation theory applied to the computation of intermolecular forces / Robert Moszynski, Paul E.S. Wormer and Ad van der Avoird -- The structure and electronic states of transition metal molecules and cluster compounds by means of DFT calculations and ZEKE spectroscopy / Attila Bérces, Marek Z. Zgierski and Dong-Sheng Yang -- Ab initio calculations of excited state potential functions / Robert J. Buenker [and others] -- Relativistic effects in the calculation of electronic energies / Bernd Artur Hess and Christel Maria Marian -- The ab initio calculation of molecular properties other than the potential energy surface / Stephan P.A. Sauer and Martin J. Packer -- ".
• catalog title "Computational molecular spectroscopy / edited by Per Jensen and Philip Bunker.".
• catalog type "text".