RJ. THEORY

THURSDAY, JUNE 24, 2004 - 1:30PM

Room: 2015 MCPHERSON LAB


Chair: ANNE MCCOY, The Ohio State University, Columbus, OH


RJ01 INVITED TALK 30min1:30
ACCURATE EQUIBRIUM STRUCTURES: THEORY AND EXPERIMENT NEED EACH OTHER.

JOHN F. STANTON, Institute for Theoretical Chemistry, Department of Chemistry and Biochemistry, University of Texas at Austin, Austin, TX USA 78712.

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


RJ02 10min2:05
THEORETICAL STUDIES OF THE NaK 3 3 Pi DOUBLE MINIMUM STATE.

R. D. MILES, A. WILKINS, L. MORGUS, J. HUENNEKENS, A. P. HICKMAN, DEPARTMENT OF PHYSICS, LEHIGH UNIVERSITY, BETHLEHEM, PA 18015.

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


RJ03 10min2:17
STILL SEARCHING FOR THE LOW-LYING TRIPLET STATE OF CCl2.

GYÖRGY TARCZAY, Department of General and Inorganic Chemistry, Eötvös University, P.O. Box 32, H-1518 Budapest 112, Hungary; ATTILA G. CSÁSZÁR, Department of Theoretical Chemistry, Eötvös University, P.O. Box 32, H-1518 Budapest 112, Hungary; TERRY A. MILLER, Laser Spectroscopy Facility, Department of Chemistry, The Ohio State University, Columbus, OH 43210.

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


RJ04 15min2:29
DDD: DYNAMIC DATABASE FOR DIATOMIC MOLECULES.

DAVID W. SCHWENKE, NASA Ames Research Center, MS T27B-1, Moffett Field, CA 94035-1000.

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


RJ05 15min2:46
SILVER TRIMER: AN INTERESTING COINAGE-METAL SYSTEM WITH JAHN-TELLER ACTIVITY.

ILIAS SIOUTIS, RUSSELL M. PITZER AND TERRY A. MILLER, Laser Spectroscopy Facility, Department of Chemistry, The Ohio State University, Columbus, OH 43210.

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


INTERMISSION


RJ06 15min3:20
AB INITIO CALCULATION OF THE ELECTRONIC TRANSITIONS OF Er3+ DOPED INTO GaN.

YANG YANG AND RUSSELL M. PITZER, Department of Chemistry, The Ohio State University, Columbus, OH 43210.

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


RJ07 15min3:37
THE THEORETICAL ANALYSIS OF THE X-RAY ABSORPTION SPECTRUM AT THE OXYGEN K-EDGE FOR Cs2UO2Cl4.

RAJNI TYAGI, RUSSELL M. PITZER, Department of Chemistry, The Ohio State University, 100 W.18th Avenue, Columbus, OH, 43210.

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


RJ08 15min3:54
PROPERTIES OF NEARLY ONE-ELECTRON MOLECULES: A GREEN'S FUNCTION APPROACH.

SERHAN N. ALTUNATA, STEPHEN L. COY, ROBERT W. FIELD, Department of Chemistry and G.B. Harrison Spectroscopy Laboratory, Massachusetts Institute of Technology, Cambridge, MA 02139.

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


RJ09 15min4:11
CAN RESONANCES OCCUR IN THE PHOTODISSOCIATION CONTINUUM OF A DIATOMIC MOLECULE?: THE ROLE OF POTENTIAL DISCONTINUITIES.

J. TELLINGHUISEN, Department of Chemistry, Vanderbilt University, Nashville, TN 37235.

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


RJ10 15min4:28
AB INITIO DETERMINATION OF MOLECULAR PARAMETERS FOR ETHANE-LIKE MOLECULES.

J. R. COOPER, Department of Physics and Astronomy, University of Calgary, Calgary, Alberta T2N 1N4, Canada; L.-H. XU, Department of Physical Sciences, University of New Brunswick, Saint John, New Brunswick E2L 4L5, Canada; N. MOAZZEN-AHMADI, Department of Physics and Astronomy, University of Calgary, Calgary, Alberta T2N 1N4, Canada.

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


RJ11 15min4:45
POTENTIAL FUNCTIONS FOR TWO-ROTOR MOLECULES FROM AB INITIO CALCULATIONS AND EXPERIMENT: WHAT TO COMPARE?.

PETER GRONER, Department of Chemistry, University of Missouri - Kansas City, Kansas City, MO 64110.

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


RJ12 15min5:02
ETHANE SIMMETRIC STRECHING VIBRATIONAL NORMAL MODES.

MARIA VILLA, Departamento de Quimica,,Universidad Autonoma Metropolitana, Av. San Rafael Atlixco, Col. Vicentina, Iztapalapa, Mexico D.F. 09340, MEXICO; M. LUISA SENENT, Departamento de Astrofisica Molecular e Infrarroja, Instituto de Estructura de la Materia, C.S.I.C., Serrano 113B, Madrid 28006, SPAIN; AND RICARDO HIDALGO, Departamento de Quimica,,Universidad Autonoma Metropolitana, Av. San Rafael Atlixco, Col. Vicentina, Iztapalapa, Mexico D.F. 09340, MEXICO.

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


RJ13 15min5:19
SPIN-ORBIT CONFIGURATION INTERACTION STUDY ON CUO .

TIANXIAO YANG, RAJNI TYAGI, RUSSELL M. PITZER AND BRUCE E. BURSTEN, Department of Chemistry, The Ohio State University, 100 W.18th Avenue, Columbus, OH, 43210.

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



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