986 research outputs found

    29. Mansfeld (Jaap), Prolegomena. Questions to be Settled Before the Study of an Author, or a Text

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    Boudon-Millot Véronique. 29. Mansfeld (Jaap), Prolegomena. Questions to be Settled Before the Study of an Author, or a Text. In: Revue des Études Grecques, tome 107, fascicule 511-513, Juillet-décembre 1994. pp. 736-737

    29. Mansfeld (Jaap), Prolegomena. Questions to be Settled Before the Study of an Author, or a Text

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    Boudon-Millot Véronique. 29. Mansfeld (Jaap), Prolegomena. Questions to be Settled Before the Study of an Author, or a Text. In: Revue des Études Grecques, tome 107, fascicule 511-513, Juillet-décembre 1994. pp. 736-737

    Hirschi T., Selvin H. C., Deliquency research. An appraisal of analytic methods.

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    Boudon Raymond. Hirschi T., Selvin H. C., Deliquency research. An appraisal of analytic methods.. In: Revue française de sociologie, 1968, 9-4. pp. 567-568

    57. Sirinelli (Jean), Les enfants d'Alexandre, La littérature et la pensée grecques (334 av. J.-C.-519 ap. J.-C)

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    Boudon-Millot Véronique. 57. Sirinelli (Jean), Les enfants d'Alexandre, La littérature et la pensée grecques (334 av. J.-C.-519 ap. J.-C). In: Revue des Études Grecques, tome 107, fascicule 509-510, Janvier-juin 1994. pp. 297-298

    57. Sirinelli (Jean), Les enfants d'Alexandre, La littérature et la pensée grecques (334 av. J.-C.-519 ap. J.-C)

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    Boudon-Millot Véronique. 57. Sirinelli (Jean), Les enfants d'Alexandre, La littérature et la pensée grecques (334 av. J.-C.-519 ap. J.-C). In: Revue des Études Grecques, tome 107, fascicule 509-510, Janvier-juin 1994. pp. 297-298

    Boudon Raymond — L'inégalité des chances. La mobilité sociale dans les sociétés industrielles

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    G. C. Boudon Raymond — L'inégalité des chances. La mobilité sociale dans les sociétés industrielles. In: Population, 30ᵉ année, n°6, 1975. pp. 1190-1191

    Boudon Raymond — L'inégalité des chances. La mobilité sociale dans les sociétés industrielles

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    G. C. Boudon Raymond — L'inégalité des chances. La mobilité sociale dans les sociétés industrielles. In: Population, 30ᵉ année, n°6, 1975. pp. 1190-1191

    EXTENSION OF THE STDS/HTDS SOFTWARE TO ROVIBRONIC SPECTROSCOPY AND TO LOWER SYMMETRY PROBLEMS

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    a^{a}Ch. Wenger and J.-P. Champion, J. Quant. Spectrosc. Radiat. Transfer, 59, 471-480 (1998). b^{b}Ch. Wenger, V. Boudon J.-P. Champion and G. Pierre, J. Quant. Spectrosc. Radiat. Transfer, 66, 1-16 (2000). c^{c}M. Rey, V. Boudon, M. Lo\""ete and F. Michelot, J. Mol. Spectrosc., 204, 106-119 (2000). d^{d}M. Rey, V. Boudon and M. Lo\""ete, J. Mol. Struct., in press (2001). e^{e}M. Rotger, V. Boudon and M. Lo\""ete, J. Mol. Spectrosc., 200, 123-130 (2000). f^{f}M. Rotger, V. Boudon and M. Lo\""ete, J. Mol. Spectrosc., 200, 131-137 (2000).Author Institution: Laboratoire de Physique de l'Universit\'e de BourgogneWe present new softwares using the group-theoretical and tensorial methods developed in the Dijon group. They are based on the Spherical Top Data System (STDS)a(STDS)^{a} and the Highly-spherical Top Data System (HTDS)b(HTDS)^{b} previously written for spherical-top molecules in a singlet electronic state. The two types of problems that can be handled with these new programs are: \bullet The case of spherical-top molecules in a degenerate electronic state. This concerns the rovibronic spectroscopy instead of the rovibrational spectroscopy, for species like ReF6ReF_{6} or V(CO)6V(CO)_{6}. A new formalism including electronic operators and rovibronic couplings has been developedc,ddeveloped^{c,d} and implemented in a new version of HTDS. \bullet The case of ``quasi spherical-top'' molecules of C4vC_{4v} and C2vC_{2v} symmetry. This concerns symmetric-top molecules deriving from spherical-tops by substitution of one ligand like SF5ClSF_{5}Cl (C4vC_{4}v symmetry) or asymmetric-tops with ligands having close masses like SO2F2SO_{2}F_{2} (C2vC_{2}v symmetry). New formalism using the O(3)OhC4ve,f{O(3) \supset O_{h} \supset C_{4v}}^{e,f} and O(3)TdC2vO(3) \supset T_{d} \supset C_{2v} group chains have been developed and implemented into two new program suites named C4vC_{4v} TDS and C2vC_{2v} TDS, respectively. These software packages will be available soon for free download

    SPECTROSCOPY OF X2Y4(D2h)X_{2}Y_{4} (D_{2h}) MOLECULES: TENSORIAL FORMALISM ADAPTED TO THE O(3)D2hO(3) \supset D_{2h} CHAIN, HAMILTONIAN AND TRANSITION MOMENT OPERATORS. APPLICATION TO THE ν12\nu_{12} and ν2\nu_{2} BANDS OF C2H4C_{2}H_{4}.

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    a^{a}W. Raballand, M. Rotger, V. Boudon and M. Lo\""{e}te, J. Mol. Spectrosc., accepted (2003). b^{b}J.-P. Champion, M. Lo\""{e}te and G. Pierre, in ""Spectroscopy of the Earth's Atmosphere and Interstellar Medium"" (K. N. Rao and A. Weber, Eds.) pp. 339-422, Academic Press, Inc., San Diego (1992). c^{c}M. Rotger, V. Boudon and M. Lo\""{e}te, J. Mol. Spectrosc., 200, 123-130, (2000). d^{d}M. Rotger, V. Boudon and M. Lo\""{e}te, J. Mol. Spectrosc., 200, 131-137, (2000). e^{e}M. Rotger, V. Boudon and M. Lo\""{e}te, J. Mol. Spectrosc., 216, 297-307, (2002). f^{f}B. G. Sartakov, J. Oomens, J. Reuss and A. Fayt, J. Mol. Spectrosc., 185, 31-47 (1997).Author Institution: Laboratoire de Physique de I'Universit\'{e} de BourgogneA tensorial formalism adapted to the case of X2Y4X_{2}Y_{4} asymmetric moleculesamolecules^{a} with D2hD_{2h} symmetry has been developed in the same way as in the previous works on XY4(Tb)XY_{4} (T_{b}) and XY6(Oh)XY_{6} (O_{h}) spherical topsb,XY5Z(C4v)tops^{b}, XY_{5}Z (C_{4v}) symmetric topsc,dtops^{c,d} or XY2Z2(C2v)XY_{2}Z_{2} (C_{2v}) asymmetric topsetops^{e}. We use the O(3)D2hO(3) \supset D_{2h} group chain. The method is similar to that already outlined by Sartakov etal.fet al.^{f}. All the coupling coefficients and formulas for the computation of matrix elements are given for this chain. Such relations are then expressed in the D2hD_{2h} group itself. We also present a development of the Hamiltonian, dipole moment, and polarizability operators for this type of molecules. Expressions of the matrix elements are derived for these operators. Two preliminary applications are presented. One concerns the infrared active ν12\nu_{12} band of the C2H4C_{2}H_{4} molecule and the other the Raman active ν2\nu_{2} band

    XTDS: A JAVA-BASED INTERFACE TO ANALYZE AND SIMULATE SPECTRA OF VARIOUS MOLECULES USING TENSORIAL FORMALISM

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    {V. Boudon, J.-P. Champion, T. Gabard, M. Loete, F. Michelot, G. Pierre, M. Rotger, Ch. Wenger and M. Rey, {\em J. Mol. Spectrosc.\/{http://www.u-bourgogne.fr/shTDS.html{Ch. Wenger and J.-P. Champion, {\em J. Quant. Spectrosc. Radiat. Transfer\/{Ch. Wenger, V. Boudon, J.-P. Champion and G. Pierre, {\em J. Quant. Spectrosc. Radiat. Transfer\/{Ch. Wenger, M. Rotger and V. Boudon, {\em J. Quant. Spectrosc. Radiat. Transfer\/{Ch. Wenger, M. Rotger and V. Boudon, {\em J. Quant. Spectrosc. Radiat. Transfer\/{Ch. Wenger, W. Raballand, M. Rotger and V. Boudon, {\em J. Quant. Spectrosc. Radiat. Transfer\/Author Institution: Laboratoire de Physique de l'Universite de Bourgogne, CNRS UMR 5027, 9 Av. A. Savary, BP 47870, F-21078 Dijon Cedex, FranceThe Dijon group has developed powerful techniques based on group theory and tensorial formalism}, {\bf 228}, 620--634 (2003)} in order to analyze and simulate absorption and Raman spectra of molecules with various symmetries. Software packages and databases} implementing these tools have been created. This concerns: XY4_4 (tetrahedral, STDS package)}, {\bf 59}, 471--480 (1998).}, XY6_6 (octahedral, HTDS package)}, {bf 66}, 1--16 (2000).}, XY2_2Z2_2 (C2v{C_{2v}} symmetry, C2v{C_{2v}}TDS package)}, {\bf 93}, 429--446 (2005).}, XY5_5Z (C4v{C_{4v}} symmetry, C4v{C_{4v}}TDS package)}, {\bf 74}, 621--636 (2002).} and X2_2Y4_4 (D2h{D_{2h}} symmetry and D2h{D_{2h}}TDS package)}, in press (2005).} species. These packages all consist in FORTRAN 77 programs called by UNIX scripts. We present here a user-friendly java-based interface, called XTDS, which allows to interactively build and launch spectrum calculation or analysis jobs using any of the above-mentioned packages. This software runs on UNIX systems (UNIX, Linux or Mac OS X workstations). It allows the treatment of complex spectroscopic problems, including molecules with complex polyads, like methane for instance. The user can define the polyad scheme for the molecule under consideration. All interaction terms up to a given order of the development are automatically determined for both the Hamiltonian or transition moments (dipole moment or polarizability). Least-square fits of experimental data can also be run interactively
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