TI. THEORY

TUESDAY, JUNE 13, 2000 - 1:30PM

Room: 1005 SMITH LAB

Chair: PETER BOTSCHWINA, Universität Göttingen, Göttingen, Germany

TI01 15min1:30

K-SCRAMBLING IN A NEAR-SYMMETRIC-TOP MOLECULE CONTAINING AN EXCITED NON-COAXIAL INTERNAL ROTOR.

JUAN ORTIGOSO, Instituto de Estructura de la Materia, Consejo Superior de Investigaciones Científicas, Serrano 121, 28006 Madrid, Spain; JON T. HOUGEN, Optical Technology Division, National Institute of Standards and Technology, Gaithersburg, MD 20899-8441.

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TI02			15min1:47

IVR SCALING OF THE INTERNAL ROTOR.

RYAN PEARMAN AND MARTIN GRUEBELE, Beckman Institute for Advanced Science and Technology and Department of Chemistry, University of Illinois at Urbana-Champaign, Urbana, IL 61801.

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TI03			15min2:04

DYNAMICAL STUDY OF TRIMETHYLAMINE BY MEANS OF THE NON-RIGID GROUP THEORY.

Y. G. SMEYERS, Instituto de Estructura de la Materia, C.S.I.C, Serrano 113-bis, 28006-Madrid, SPAIN. ; AND M. VILLA, Departamento de Quimica, Universidad Autonoma Metropolitana - I., 09340, D. F., MEXICO..

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TI04			15min2:21

INFLUENCE OF THE VIBRATIONAL ZERO POINT CORRECTION ON THE AMINE INVERSION BARRIER AND THE FIR SPECTRUM OF METHYLAMINE.

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TI05			15min2:38

CURVILINEAR INTERNAL VALENCE COORDINATE HAMILTONIAN FOR AMMONIA.

JANNE PESONEN, ANDREA MIANI, Laboratory of Physical Chemistry, P.O. Box 55 (A. I. Virtasen aukio 1), FIN-00014 University of Helsinki, Finland; LAURI HALONEN, JILA, University of Colorado, Campus Box 440, Boulder, Colorado 80309.

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TI06			15min2:55

THEORETICAL STUDY OF THE METHANE STRETCHING VIBRATIONAL ENERGY LEVEL STRUCTURE CLOSE TO A NICKEL SURFACE.

LAURI HALONEN AND DAVID NESBITT, JILA, University of Colorado, Campus Box 440, Boulder, Colorado 80309.

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TI07			15min3:12

ANTIGRAVITATION QUANTUM HIGH ENERGY.

KHOLMURAD KHASANOV, Samarkand State University, Uzbekistan, 703004, email: hanvar@samuni.silk.org.

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INTERMISSION

TI08			15min3:45

DIRECT TWO QUANTUM JUMPS IN HIGH FREQUENCY ELECTRON PARA\-MAGNETIC RESONANCE DESCRIBED BY A 3-LEVEL DENSITY MATRIX FORMALISM..

W. LEO MEERTS, Department of Molecular and Laser Physics, University of Nijmegen, P.O. Box 9010, 6500 GL Nijmegen, The Netherlands; PAUL J. M. VAN KAN, Department of Molecular Spectroscopy, University of Nijmegen; ETIENNE GOOVAERTS, Department of Physics, University of Antwerp, UIA campus, 2610 Wilrijk, Belgium.

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TI09			15min4:02

DIFFUSION QUANTUM MONTE CARLO ON MULTIPLE POTENTIAL SURFACES: A SCALABLE APPROACH FOR CALCULATING SHIFTS IN TRANSITION FREQUENCIES IN CLUSTERS.

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

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TI10			15min4:19

NONEXPONENTIAL DEPHASING IN QUANTUM MECHANICAL SYSTEMS.

V. WONG AND M. GRUEBELE, Department of Chemistry and Beckman Institute for Advanced Science and Technology, University of Illinois,Urbana IL 61801.

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TI11			15min4:36

ANGULAR MOMENTUM TRANSFER IN ROTATIONAL ENERGY TRANSFER: TESTS OF GENERALIZED SCALING LAWS APPLIED TO O₂ .

STEPHEN L. COY, K. RYBAK, J. I. STEINFELD, MIT Department of Chemistry, Cambridge, MA 02139.

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TI12			15min4:53

BOUND ROVIBRATIONAL ENERGY LEVELS FOR THE NeXH/D (X²

,v_XH=0, X=O,S) VAN DER WAALS COMPLEXES.

HEE-SEUNG LEE AND ANNE B. MCCOY, Department of Chemistry, The Ohio State University, Columbus, OH 43210.

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TI13			15min5:10

FINGERPRINTS OF SADDLE-NODE BIFURCATION IN SPECTRUM AND DISSOCIATION OF HOCl.

S. GREBENSHCHIKOV, J. WEISS, J. HAUSCHILDT AND R. SCHINKE, MPI für Strömungsforschung Bunsenstraße 10, D-37073 Göttingen, Germany.

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