FRIDAY, JUNE 16, 1995--8:30AM

Chair: TIMOTHY J. LEE, NASA Ames Research Center, Moffett Field, California

FC01 8:30AM (15 min)
AB INITIO CALCULATION ON NITROGEN DIOXIDE COMPOUNDS

MIN-YI SHEN, and CHIN-HUI YU, Department of Chemistry, National Tsing Hua University, Hsinchu, Taiwan.

FC02 8:47AM (15 min)
SPECTROSCOPY OF LITHIUM BORIDE, A HEDM CANDIDATE MOLECULE

JEFFREY A. SHEEHY, OLAC-PL/RKF, 10 E. Saturn Blvd., Edwards AFB, CA 95324- 7680.

FC03 9:04AM (15 min)
AB INITIO ANALYSIS OF THE STRUCTURE AND INFRARED SPECTRA OF THE FURYLIMIDAZOLES

J. VAZQUEZ, Departemento de Química Física y Analítica, Universidad de Jaén, Jaén, Spain; LOURDES BALLESTER, Departemento de Química, Universidad de Oriente, Santiago de Cuba, Cuba; and J. E. BOGGS, Department of Chemistry and Biochemistry, The University of Texas, Austin, TX 78712.

FC04 9:21AM (15 min)
ELECTRONIC STRUCTURE OF ScF, TiF, VF, CrF, AND NiF

FERNANDO L. HERRERA, and JAMES F. HARRISON, Department of Chemistry and Center for Fundamental Materials Research, Michigan State University, East Lansing, MI 48824-1322.

FC05 9:38AM (15 min)
ELECTRONIC STRUCTURE OF ScN, TiN, VN, AND CrN

JAMES F. HARRISON, Department of Chemistry and Center for Fundamental Materials Research, Michigan State University, East Lansing, MI 48824-1322.

FC06 9:55AM (15 min)
EXTENSION OF GAUSSIAN-2 (G2) THEORY TO MOLECULES CONTAINING THIRD-ROW ATOMS Ga-Kr

L. A. CURTISS, Argonne National Laboratory, Argonne, Illinois 60439; M. P. McGRATH, Australian National University, Canberra, ACT, 0200 Australia; J. P. BLAUDEAU, Argonne National Laboratory, Argonne, Illinois 60439; and L. RADOM, Australian National University, Canberra, ACT, 0200 Australia.

INTERMISSION

FC07 10:30AM (15 min)
AN AB INITIO CALCULATION OF THE ROVIBRONIC ENERGIES OF THE CH MOLECULE

P. JENSEN, M. BRUMM, FB9-Theoretische Chemie, Bergische Universität- Gesamthoschschule Wuppertal, D-42097 Wuppertal, Germany; W. P. KREAMER, Max- Planck-Institut für Astrophysik, Karl-Schwarzschild-Strasse 1, Postfach 1523, D-85740 Garching, Germany; and P. R. BUNKER, Steacie Institute for Molecular Sciences, National Research Council of Canada, Ottawa, Ontario, Canada K1A 0R6.

FC08 10:47AM (10 min)
AN AB INITIO STUDY OF LINEAR MgCCH AND MgCC AND CYCLIC MgC

D. E. WOON, Moleuclar Research Institute, 845 Page Mill Rd, Palo Alto, CA 94304.

FC09 10:59AM (15 min)
EMPIRICAL ESTIMATION OF VIBRATIONAL ANHARMONICITIES FROM HARTREE- FOCK (HF) AND DENSITY FUNCTIONAL THEORY (DFT) FOR DIATOMIC MOLECULES

P. HASSANZADEH, Department of Chemistry, George Washington University, Washington DC 20052; and K. K. IRIKURA, Chemical Kinetics and Thermodynamics Division, National Institute of Standards and Technology, Gaithersburg, MD 20899.

FC10 11:16AM (15 min)
THE POTENTIAL ENERGY SURFACE FOR THE REACTION Li + FH LiF + H

SUI-SHENG ZHAO, and ISAIAH SHAVITT, Department of Chemistry, The Ohio State University, Columbus, OH 43210.

FC11 11:33AM (10 min)
MODEL CALCULATIONS ON A COLLECTION OF WEAKLY BOUND TRIMERS

CLIFFORD E. DYKSTRA, Department of Chemistry, Indiana-Purdue University, 402 N. Blackford Street, Indianapolis, IN 46202-3274.

FC12 11:45AM (15 min)
AB INITIO CALCULATIONS ON THE BENZENE-WATER DIMER

S. SUZUKI, Department of Geology and Planetary Science, Mail Stop 127-72, California Institute of Technology, Pasadena, CA 91125; and G. A. BLAKE, Department of Geology and Planetary Science, Mail Stop 170-25, California Institute of Technology, Pasadena, CA 91125.

FC13 12:02PM (15 min)
AB INITIO STUDY OF INTERMOLECULAR INTERACTIONS IN BENZENE DIMER CATION

R. SADYGOV, and E. C. LIM, Department of Chemistry, The University of Akron, Akron, OH 44325-3601.

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