THURSDAY, JUNE 15, 1995--8:30AM

Chair: RUSSELL M. PITZER, The Ohio State University, Columbus, Ohio

RC01 8:30AM (30 min)
INVITED PAPER AB INITIO POTENTIAL ENERGY SURFACES AND THE CALCULATION OF ACCURATE VIBRATIONAL FREQUENCIES

T. J. LEE, C.E. DATEO, NASA Ames Research Center, Moffett Field, CA 94035-1000; J.M.L. MARTIN, Department of Chemistry, University of Antwerp, Wilrijk, Belgium and Department SBG, Limburgs Universitair Centrum, Diepenbeek, Belgium; and P. R. TAYLOR, San Diego Supercomputer Center, San Diego, CA 92186-9784.

RC02 9:05AM (15 min)
AB INITIO CALCULATION OF ROVIBRONIC TRANSITION SPECTRA OF CaH

T. LEININGER, Laboratoire de Chimie Quantique (CNRS UPR139), 4 rue Blaise Pascal, 67000 Strasbourg, France; and G. -H. JEUNG, Laboratoire Aimé Cotton (CNRS UPR3321), Campus d'Orsay (Bât. 505), 91405 Orsay Cédex, France.

RC03 9:22AM (10 min)
AB INITIO CALCULATION FOR THE 1 STATE OF K

G. -H. JEUNG, Laboratoire Aimé Cotton (CNRS UPR3321), Campus d'Orsay (Bât. 505), 91405 Orsay Cédex, France and Applications Scientifiques du Calcul Intensif (CNRS), Campus d'Orsay (Bât. 506), 91405 Orsay Cédex, France.

RC04 9:34AM (10 min)
Original abstract withdrawn - replaced with post-deadline abstract: CLASSICAL DYNAMICS OF TWO COUPLED TORSIONAL MODES

GUISEPPINA CONTI, and SERGIO ABBATE, Dipartimento di scienze Biomediche e Biotecnologiche, Univerista di Brescia, via Valssabbina 19, 25123 Brescia, Italy.

RC05 9:46AM (15 min)
Original abstract withdrawn - replaced with post-deadline abstract: VALENCE AND RYDBERG STATES OF NH. AN AB-INITIO MRD-CI STUDY

J. M. AMERO, and G. J. V ZQUEZ, Instituto de Física, Universidad Nacional Autónoma de México, Laboratorio Cuernavaca, AP-139 B, 62191 Morelos, Mexico.

INTERMISSION

RC06 10:20AM (15 min)
ELECTRONIC STRUCTURE OF SEVERAL THERMODYNAMICALLY STABLE DICATIONS

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

RC07 10:37AM (15 min)
ELECTRONIC STRUCTURE OF ScLi, TiLi, VLi, CrLi, AND CuLi AND THEIR POSITIVE IONS

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

RC08 10:54AM (15 min)
JAHN-TELLER EFFECT IN Vcl

KE ZHAO, and RUSSELL M. PITZER, Department of Chemistry, The Ohio State University, Columbus, OH 43210.

RC09 11:11AM (15 min)
ELECTRONIC STRUCTURE OF Pa@C

KE ZHAO, and RUSSELL M. PITZER, Department of Chemistry, The Ohio State University, Columbus, OH 43210.

RC10 11:28AM (15 min)
PROPERTIES OF HYDROGEN-BONDED COMPLEXES OBTAINED FROM THE B3LYP FUNCTIONAL WITH 6-31G(D,P) AND 6-31+G(D,P) BASIS SETS: COMPARISON WITH MP2/6-31+G(D,P) RESULTS AND EXPERIMENTAL DATA

JANET E. DEL BENE, Department of Chemistry, Youngstown State University, Youngstown, Ohio 44555; WILLIS B. PERSON, and KRYSTYNA SZCZEPANIAK, Department of Chemistry, University of Florida, Gainesville Florida 32611.

RC11 11:45AM (15 min)
MULTICENTER SPIN-SPIN, SPIN-ORBIT AND COULOMB REPULSION INTEGRALS OF SPHERICAL GAUSSIAN FUNCTIONS BY FOURIER TRANSFORM CONVOLUTION THEOREM

L. -Y. CHOW CHIU, and M. MOHARERRZADEH, Department of Chemistry, Howard University, Washington DC 20059.

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