TI. INFRARED

TUESDAY, JUNE 15, 1999 - 1:30PM

Room: 160 MATH ANNEX

Chair: ANNE B. McCOY, The Ohio State University, Columbus, OH

TI01 15min1:30

SURFACE AND INTERIOR SOLVATED STATES OF METHANOLATED HALIDE CLUSTER IONS.

CHARLOTTE A. CORBETT, ORLANDO M. CABARCOS, COREY J. WEINHEIMER AND JAMES M. LISY, Department of Chemistry, University of Illinois at Urbana-Champaign, Urbana, IL 61801, USA.

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TI02			15min1:47

THE SPECTROSCOPY AND IVR DYNAMICS OF HOCl IN THE v_\mathrmOH=6 REGION PROBED BY INFRARED-VISIBLE DOUBLE RESONANCE OVERTONE EXCITATION..

J. S. MUENTER, Department of Chemistry, University of Rochester, River Station, Rochester, NY 14627; A. CALLEGARI, J. REBSTEIN, T. R. RIZZO, Laboratoire de Chimie Physique Moleculaire (LCPM), École Polytechnique Fédérale de Lausanne, CH-1015 Lausanne, Switzerland; R. JOST, Grenoble High Magnetic Field Laboratory MPI and CNRS BP 166 F-38042 Grenoble Cedex 9, France.

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TI03			15min2:04

VIBRATIONAL OVERTONE SPECTROSCOPY OF CYCLOHEXADIENE IRON TRICARBONYL AND 1,3-CYCLOHEXADIENE.

A. V. FEDOROV, D. L. SNAVELY, Department of Chemistry and Center for Photochemical Sciences, Bowling Green State University, Bowling Green, OH 43403 USA; K. M. GOUGH, B. BILLINGHURST, Department of Chemistry, University of Manitoba, Winnipeg, MT R3T2N2 Canada; H. G. KJAERGAARD, Department of Chemistry, University of Otago, Dunedin, P.O.Box 56 New Zealand.

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TI04			15min2:21

OVERTONE STATES STUDIED BY LASER INDUCED DISPERSED FLUORESCENCE IN THE GROUND ELECTRONIC STATE. APPLICATION TO HCCH AND H₂O MOLECULES.

DMITRI PERMOGOROV, MARIA SAARINEN, LAURI HALONEN, Laboratory of Physical Chemistry, P. O. Box 55 (A. I. Virtasen aukio 1), FIN-00014 University of Helsinki, Finland.

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TI05			15min2:38

HCN IN CLUSTERS OF HELIUM-4: THEORETICAL MODELS FOR SPECTRAL LINESHAPES.

DAVID T. MOORE, KLAAS NAUTA, ROGER E. MILLER, Department of Chemistry, University of North Carolina, Chapel Hill, NC 27599; K. BIRGITTA WHALEY, Department of Chemistry, University of California, Berkeley, CA 94270; YONGKYUNG KWON, Department of Physics, Konkuk University, Seoul 143-701 Korea.

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TI06			15min2:55

CALCULATED OH STRETCHING VIBRATIONAL BAND INTENSITIES OF SMALL WATER CLUSTERS.

HENRIK G. KJAERGAARD AND GEOFFREY R. LOW, Department of Chemistry, University of Otago, P.O. Box 56, Dunedin, New Zealand.

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TI07			15min3:12

THE LOW-LYING XCN BENDING MODES OF THE QUASILINEAR MOLECULES ClCNO AND BrCNO .

STEPHEN C. ROSS, Department of Physics, University of New Brunswick, Fredericton NB E3B 5A3, Canada; HOLGER LICHAU, BRENDA P. WINNEWISSER, MANFRED WINNEWISSER, Physikalisch-Chemisches Institut, Justus-Liebig-Universität, D-35392 Gießen, Germany.

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INTERMISSION

TI08			15min3:45

DETERMINATION OF ELECTRIC AND MAGNETIC PROPERTIES OF DIATOMIC MOLECULES FROM PURE ROTATIONAL AND VIBRATION- ROTATIONAL SPECTRA.

MARCIN MOLSKI, JERZY KONARSKI, Theoretical Chemistry Department, A. Mickiewicz University, ul. Grunwaldzka 6, PL 60-780 Poznań, Poland.

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TI09			15min4:02

LEAST-SQUARES MASS-DEPENDENCE MOLECULAR STRUCTURES.

JAMES K. G. WATSON, Steacie Institute for Molecular Sciences, National Research Council, Ottawa, Ontario, Canada K1A OR6; ARTUR ROYTBURG, Global Travel Computer Services, 7550 Birchmount Road, Markham, Ontario, Canada L3R 6C6; WOLFGANG ULRICH, Abteilung Chemische Physik, Universität Ulm, D-89069 Ulm, Germany.

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TI10			15min4:19

THEORY OF r_m^(2) STRUCTURAL PARAMETERS.

JAMES K. G. WATSON, Steacie Institute for Molecular Sciences, National Research Council, Ottawa, Ontario, Canada K1A OR6.

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TI11			15min4:36

ANALYSIS OF CO-STRECHING-TORSION-ROTATIONAL TRANSITIONS OF METHANOL.

YUN-BO DUAN AND ANNE B. MCCOY, Department of Chemistry, The Ohio State University, Columbus, OH 43210.

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TI12			10min4:53

CHARACTERIZATION OF NON-ADIABATIC RESONANT STATES FOR METHANOL CH- AND OH-STRETCHING MODES BY THE USE OF CLASSICAL MECHANICS.

L. CHIETERA, E. MONTAGNOLI, G. LONGHI, S. ABBATE, Dipartimento di Scienze Biomediche e Biotecnologie, Universit`a degli Studi di Brescia, Via Valsabbina 19, 25123 Brescia, Italy.

TI13			10min5:05

STUDY OF CH-STRETCHING MODES IN A CHIRAL HCCH FRAGMENT WITH LARGE AMPLITUDE TORSIONAL MOTIONS.

S. ABBATE, G. LONGHI AND C. SANTINA, Dipartimento di Scienze Biomediche e Biotecnologie, Università degli Studi di Brescia, Via Valsabbina 19, 25123 Brescia, Italy.

TI14			10min5:17

VIBRATIONAL ANHARMONICITY AND SCALING THE QUANTUM MECHANICAL MOLECULAR FORCE FIELD.

YURII N. PANCHENKO, Laboratory of Molecular Spectroscopy, Division of Physical Chemistry, Department of Chemistry, M. V. Lomonosov Moscow State University, Moscow 119899, Russian Federation; VLADIMIR I. PUPYSHEV, Laboratory of Molecular Structure and Quantum Mechanics, Division of Physical Chemistry, Department of Chemistry, M. V. Lomonosov Moscow State University, Moscow 119899, Russian Federation; AND CHARLES W. BOCK, Chemistry Department, Philadelphia College of Textiles & Science, Philadelphia, Pennsylvania 19144, U.S.A.

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TI15			10min5:29

TRANSFERABILITY OF PULAY'S SCALE FACTORS IN THE IVa GROUP OF THE MENDELEYEV PERIODIC SYSTEM.

YURII N. PANCHENKO, Laboratory of Molecular Spectroscopy, Division of Physical Chemistry, Department of Chemistry, M. V. Lomonosov Moscow State University, Moscow 119899, Russian Federation; GEORGE R. DE MARÉ, Laboratoire de Chimie Physique Moléculaire, Faculté des Sciences, CP 160/09, Université Libre de Bruxelles, 50, Av. F. D. Roosevelt, B-1050 Brussels, Belgium; AND ALEKSANDER V. ABRAMENKOV, Laboratory of Molecular Structure and Quantum Mechanics, Division of Physical Chemistry, Department of Chemistry, M. V. Lomonosov Moscow State University, Moscow 119899, Russian Federation.

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TI16	Post-deadline Abstract		15min5:41

DETERMINATION OF THE GROUND-STATE POTENTIAL FUNCTION OF OZONE FROM INFRARED SPECTRA.

VLADIMIR G. TYUTEREV, A. BARBE, T. COURS, Groupe de Spectroscopie Moléculaire et Atmosphérique, Equipe Associeé au CNRS, UPRESA Q 6089, U. F. R. Sciences, B. P. 1039, F-51687 Reims Cedex 2, France; SERGEI TASHKUN, Institute of Atmospheric Optics, Russian Academy of Science, Tomsk 634055, Russia; PER JENSEN, FB9 - Theoretische Chemie, Bergische Universität -- Gesamthochschule Wuppertal, D-42097 Wuppertal, Germany.

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