FC. MINI-SYMPOSIUM: THEORETICAL/COMPUTATIONAL SPECTROSCOPY

FRIDAY, JUNE 22, 2007 - 8:30AM

Room: 1000 MCPHERSON LAB

Chair: HUA-GEN YU, Brookhaven National Laboratory, Upton, New York

FC01 Journal of Molecular Spectroscopy Review Lecture 30min8:30

COMPUTATIONAL STUDIES OF THE ELECTRONIC SPECTRA OF TRANSITION-METAL-CONTAINING MOLECULES.

JAMES T. MUCKERMAN, ZHONG WANG, TREVOR J. SEARS, Chemistry Department, Brookhaven National Laboratory, Upton, NY 11973-5000; AND HUA HOU, Chemistry Department, Wuhan University, Wuhan, P.R. China.

Abstract: [HTML] [GIF] [PS] [PDF] [DVI] Archived Digital Presentation: [PPT] [GIFS]

FC02			15min9:05

UNDERSTANDING Pa (5f¹6d¹)O⁺ (³H₄) IN TERMS OF THE ELECTRONIC STRUCTURE OF Pa^n+(n=2,3,4).

MICHAEL K. MROZIK, RUSSELL M. PITZER, The Ohio State University, Columbus, OH 43210; JOHN K. GIBSON, Oak Ridge National Lab, Oak Ridge, TN 37831; BRUCE E. BURSTEN, University of Tennessee, Knoxville, TN 37996.

Abstract: [HTML] [GIF] [PS] [PDF] [DVI]

FC03			15min9:22

NEW QUALITATIVE PHENOMENA IN INTRAMOLECULAR DYNAMICS AND THEIR QUANTUM ANALOGS.

B. ZHILINSKII, G. DHONT, D. SADOVSKII, Université du Littoral, UMR 8101 du CNRS, 59140 Dunkerque, France.

Abstract: [HTML] [GIF] [PS] [PDF] [DVI] Archived Digital Presentation: [PPT] [GIFS]

FC04			15min9:39

NEW QUALITATIVE FEATURES IN INTRAMOLECULAR DYNAMICS: SIMPLE EXAMPLES.

B. ZHILINSKII, D. SADOVSKII, Université du Littoral, UMR 8101 du CNRS, 59140 Dunkerque France; K. EFSTATHIOU, Rijksuniversiteit Groningen, Groningen 9747 AC, The Netherlands.

Abstract: [HTML] [GIF] [PS] [PDF] [DVI] Archived Digital Presentation: [PPT] [GIFS]

FC05			15min9:56

OPTICAL STARK SPECTROSCOPY OF RHODIUM CONTAINING MOLECULES: RhN..

TIMOTHY C. STEIMLE, TONGMEI MA, JAMIE GENGLER, HAILING WANG, Department of Chemistry and Biochemistry, Arizona State University, Tempe, AZ 85287; ZHONG WANG, Department of Chemistry, Brookhaven National Laboratory, Upton, NY 11973-5000.

Abstract: [HTML] [GIF] [PS] [PDF] [DVI] Archived Digital Presentation: [PPT] [GIFS]

FC06			15min10:13

THE PERMANENT ELECTRIC DIPOLE MOMENT OF 3D-MONOHYDRIDES: CrD\setcounterfootnote1..

JINHAI CHEN, TIMOTHY C. STEIMLE, Department of Chemistry and Biochemistry, Arizona State University, Tempe, AZ 85287.

Abstract: [HTML] [GIF] [PS] [PDF] [DVI]

INTERMISSION

FC07			15min10:45

STUDIES OF VIBRATIONAL EXCITATIONS OF CH₅⁺ BY DIFFUSION MONTE CARLO TECHNIQUES.

CHARLOTTE E. HINKLE, ANNE B. MCCOY, Department of Chemistry, The Ohio State University, Columbus, OH 43210.

Abstract: [HTML] [GIF] [PS] [PDF] [DVI]

FC08			15min11:02

A DIABATIC BASIS APPROACH TO THE DETERMINATION OF TUNNELING SPLITTINGS IN FORMIC ACID DIMER.

GEORGE L. BARNES AND EDWIN L. SIBERT III, University of Wisconsin-Madison, Madison, Wisconsin 53706.

Abstract: [HTML] [GIF] [PS] [PDF] [DVI] Archived Digital Presentation: [PPT] [GIFS]

FC09			15min11:19

BIRTH OF NEW VIBRATIONAL MODES IN BIFURCATIONS OF HIGHLY EXCITED NORMAL MODES.

M. E. KELLMAN, V. TYNG, A. CHAKRABORTY, University of Oregon, Department of Chemistry, Eugene, Oregon, USA.

Abstract: [HTML] [GIF] [PS] [PDF] [DVI] Archived Digital Presentation: [PPT] [GIFS]

FC10			15min11:36

SPECTRAL SIGNATURES OF NEW MODES BORN IN BIFURCATIONS OF HIGHLY EXCITED NORMAL MODES.

M. E. KELLMAN, V. TYNG, A. CHAKRABORTY, University of Oregon, Department of Chemistry, Eugene, Oregon, USA.

Abstract: [HTML] [GIF] [PS] [PDF] [DVI] Archived Digital Presentation: [PPT] [GIFS]

FC11			15min11:53

VIBRATIONAL AND HYPERFINE COUPLING EFFECTS IN (HI)₂.

S. P. BELOV, F. WILLAERT, B. A. MCELMURRY, R. R. LUCCHESE, J. W. BEVAN, Chemistry Department, Texas A&M University, College Station, TX 77843-3255, USA; L. H. COUDERT, LISA, CNRS/Universités Paris 12 et 7, 61 Avenue du Général de Gaulle, 94010 Créteil, France; AND J. T. HOUGEN, Optical Technology Division, National Institute of Standards and Technology, Gaithersburg, MD 20899, USA.

Abstract: [HTML] [GIF] [PS] [PDF] [DVI] Archived Digital Presentation: [PPT] [GIFS]

FC12	Post-deadline Abstract		15min12:10

ASSIGNMENT AND EXTRACTION OF VIBRATIONAL DYNAMICS FROM EXPERIMENTALLY AND THEORETICALLY OBTAINED SPECTROSCOPIC HAMILTONIANS IN COMPLEX SPECTRAL REGIONS.

H. S. TAYLOR, Department of Chemistry, University of Southern California, Los Angeles, Cal.; AND C. JUNG, ICF-UNAM, Cuernavaca, Mexico.

Abstract: [HTML] [GIF] [PS] [PDF] [DVI] Archived Digital Presentation: [PPT] [GIFS]