RE. THEORY

THURSDAY, JUNE 19, 2008 - 8:30am

Room: 2015 MCPHERSON LAB

Chair: JOHN HERBERT, The Ohio State University, Columbus, Ohio

RE01 INVITED TALK 30min8:30

THEORETICAL ROVIBRATIONAL SPECTRA FOR MOLECULES CONTAINING A LARGE-AMPLITUDE MOTION: AMMONIA.

XINCHUAN HUANG, DAVID W. SCHWENKE, TIMOTHY J. LEE, NASA Ames Research Center, Moffett Field, CA 94035-1000; JOEL M. BOWMAN, Department of Chemistry, Emory University, Atlanta, GA 30322.

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

RE02			15min9:05

EXCITED STATES OF CH₅⁺ BY DIFFUSION MONTE CARLO.

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

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

RE03			15min9:22

UNDERSTANDING THE INTERMOLECULAR BENDING VIBRATIONS OF (^1,2H₂O)X^- [X=F, Cl, Br, I].

SAMANTHA HORVATH AND ANNE B. MCCOY, Department of Chemistry, The Ohio State University, Columbus, OH 43210; JOSEPH R. ROSCIOLI AND MARK A. JOHNSON, Sterling Chemistry Laboratories, Yale University, New Haven, CT 06520.

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

RE04			15min9:39

EQUILIBRIUM FOCUSED APPROACHES FOR CALCULATING 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]

RE05			10min9:56

CCSD(T) STUDY OF THE FAR-INFRARED SPECTRUM OF ETHYL METHYL ETHER.

R. RUIZ, Universidad de Burgos, Departamento de Química, Plaza Misael Banuelos s/n, 09001 Burgos, Spain; M. L. SENENT, Departamento de Astrofísica Molecular e Infrarroja, Instituto de Estructura de la Materia, C.S.I.C., Madrid 28006, Spain; R. DOMÍNGUEZ GÓMEZ, Departamento de Ingeniería Civil, Cátedra de Química, E.U.I.T. Obras Públicas, Universidad Politécnica de Madrid, Spain; M. VILLA, Departamento de Química, UAM-I Purísima y Michoacan, s/n , CP 09340, Mexico D.F, MEXICO.

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

INTERMISSION

RE06			15min10:30

HIGH ORDER CORRECTIONS TO ROTATIONAL CONSTANTS BY VIBRATION-ROTATION PERTURBATION THEORY.

JUANA VÁZQUEZ AND JOHN F. STANTON, Institute for Theoretical Chemistry, Department of Chemistry, University of Texas, Austin,Tx 78721.

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

RE07			15min10:47

SURVEY OF INDETERMINACIES OF FITTING PARAMETERS IN MOLECULAR SPECTROSCOPY. I. THEORY AND SIMPLE EXAMPLES..

JAMES K. G. WATSON, Steacie Institute for Molecular Sciences, National Research Council of Canada, Ottawa, Ontario, Canada K1M 1P2.

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

RE08			15min11:04

SURVEY OF INDETERMINACIES OF FITTING PARAMETERS IN MOLECULAR SPECTROSCOPY. II. TRUNCATION PROBLEMS AND CENTRIFUGAL DISTORTION..

JAMES K. G. WATSON, Steacie Institute for Molecular Sciences, National Research Council of Canada, Ottawa, Ontario, Canada K1M 1P2.

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

RE09			15min11:21

ROVIBRONIC ENERGY TOPOGRAPHY I: TENSOR EIGENVALUE STRUCTURE AND TUNNELING EFFECTS IN LOW-SYMMETRY SPECIES-CLUSTERS OF HIGH SYMMETRY MOLECULES.

JUSTIN C. MITCHELL, WILLIAM G. HARTER, Department of Physics, University of Arkansas, Fayetteville, AR 72701.

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

RE10			15min11:38

ROVIBRONIC ENERGY TOPOGRAPHY II: MOLECULAR INTERNAL-MOMENTUM EFFECTS AND MULIT-RES RESONANCE IN HIGH SYMMETRY MOLECULES.

WILLIAM G. HARTER, JUSTIN C. MITCHELL, Department of Physics, University of Arkansas, Fayetteville, AR 72701.

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