FC. THEORY

FRIDAY, JUNE 14, 1996 - 8:30AM

Room: 1005 SMITH LAB

Chair: PETER GRONER, University of Missouri-Kansas City, Kansas City, Missouri

FC01 Post-post Deadline Abstract -- Original Paper Rescheduled 15min8:30

FRACTAL DIMENSION OF MOLECULAR VIBRATIONAL LEVELS.

W. F. WANG AND P. P. ONG, Department of Physics, Faculty of Science, National University of Singapore, Lower Kent Ridge Road, Singapore 119260.

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FC02		15min8:47

METHYL ROTOR INTRAMOLECULAR DYNAMICS OF GASEOUS NITROMETHANES NO₂CH₃ AND NO₂CH₂D.

D. CAVAGNAT, L. LESPADE, Laboratoire de Spectroscopie Moléculaire et Cristalline, URA 124, 351 crs de la Libération, 33405 Talence, FRANCE.

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FC03		15min9:04

METHYLAMINE TORSIONAL-WAGGING FIR SPECTRUM HNH BENDING ANGLE DEPENDENCE.

Y. G. SMEYERS, Instituto de Estructura de la Materia, C.S.I.C., Calle Serrano, no. 123, 28006 Madrid, Spain; M. VILLA, Departamento de Quimica, U.A.M.-I,Av. La Purisia y Michoacan, CP 09340, Mexico D.F., Mexico; AND M. L. SENENT, Instituto de Estructura de la Materia, C.S.I.C., Calle Serrano, no. 123, 28006 Madrid, Spain.

FC04		15min9:21

THEORETICAL STUDY OF VIBRATIONAL OVERTONE SPECTROSCOPY AND DYNAMICS IN METHANOL.

L. O. HALONEN AND K. K. LEHMANN, Department of Chemistry, Princeton University, NJ 08544.

FC05		15min9:38

THE PERPENDICULAR C-H STRETCHING BAND

₉/

₁₃ AND THE TORSIONAL POTENTIAL OF DIMETHYLACETYLENE.

J. PLÍVA, Department of Physics, Pennsylvania State University, University Park, PA 16802; A. S. PINE, NIST, Gaithersburg, MD 20899; S. CIVIS, J. Heyrovský Institute of Physical Chemistry, Czech Academy of Sciences, 18223 Prague, Czech Republic.

FC06		15min9:55

AN ADIABATIC MODEL OF THE BENDING DYNAMICS OF ACETYLENE.

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

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INTERMISSION

FC07		15min10:30

THEORY OF ODD TORSIONAL TRANSITIONS IN THE V-N RESONANCE RAMAN SPECTRUM OF ETHYLENE.

J. K. G. WATSON, W. SIEBRAND, M. Z. ZGIERSKI, Steacie Institute for Molecular Sciences, National Research Council of Canada, Ottawa, Ontario, Canada K1A 0R6.; M. PAWLIKOWSKI, Department of Computational Methods in Chemistry, Jagiellonian University, 30-060 Cracow, Poland..

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FC08		15min10:47

PENDULAR STATES AND IVR.

G. T. FRASER, Optical Technology Division, National Institute of Standards and Technology, Gaithersburg, MD 20899; J. ORTIGOSO, Inst. Estructura de la Materia, CSIC, Serrano, 119-123, 28006 Madrid, Spain; B. H. PATE, Department of Chemistry, University of Virginia, Charlottesville, VA 22901.

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FC09		15min11:04

THE CLASSICAL DYNAMICS OF MOLECULES WITH FERMI RESONANCE.

MARC JOYEUX, Laboratoire de Spectrométrie Physique (CNRS UA08), Université Joseph Fourier-Grenoble I, BP 87, 38402 St. Martin d'Hères Cedex, France.

FC10		15min11:21

NATURE OF BARRIER FORCES IN ACETALDEHYDE.

D. GUO AND L. GOODMAN, Wright and Rieman Chemistry Laboratories, Rutgers University, New Brunswick, NJ 08903.

FC11		15min11:38

WHERE DOES THE DIMETHYL ETHER INTERNAL ROTATION BARRIER COME FROM?.

V. POPHRISTIC AND L. GOODMAN, Wright and Reiman Chemistry Laboratories, Rutgers University, New Brunswick, NJ 08903.

FC12		15min11:55

FERMI RESONANCES AND LOCAL MODES IN XH₃ TYPE PYRAMIDAL AND IN XH₄ TYPE TETRAHEDRAL MOLECULES.

L. O. HALONEN, Department of Chemistry, Princeton University, NJ 08544.

FC13	Post-deadline Abstract	10min12:12

THEORETICAL STUDY OF AVOIDED RESONANCE OVERLAPPING AND TRAPPING EFFECT IN PREDISSOCIATION PROCESSES.

M. DESOUTER-LECOMTE, V. BREMS, Département de Chimie, Université de Liège, B6, Sart Tilman, B-4000 Liège, BELGIUM; J. LIÉVIN, Laboratoire de Chimie Physique Moléculaire, Université Libre de Bruxelles, CPI 160/09, B-1050 Bruxelles, BELGIUM.

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FC14	Post-deadline Abstract	10min12:24

AB INITIO CALCULATION OF THE PHOTOABSORPTION CROSS SECTION OF NO₂ BY THE TWO-DIMENSIONAL REFLECTION METHOD.

A. DELON, B. KIRMSE, R. JOST, LCMI/CNRS BP166, 38042 Grenoble Cedex 9, France; J. LIÉVIN, Laboratoire de Chimie Physique Moléculaire, Université Libre de Bruxelles, CPI 160/09, B-1050 Bruxelles, BELGIUM.

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