RH. THEORY

THURSDAY, JUNE 15, 2000 - 1:30PM

Room: 1015 McPHERSON LAB

Chair: PHILLIP CHRISTIANSEN, Clarkson University, Potsdam, NY

RH01 Invited Talk 30min1:30

THE ROLE OF CONICAL INTERSECTIONS IN PHOTOCHEMISTRY,ELECTRONIC ENERGY TRANSFER AND ELECTRON TRANSFER.

MICHAEL ROBB, MICHAEL J. BEARPARK, FRANCK JOLIBOIS, ADELAIDA SANCHEZ-GALVEZ, PATRICIA HUNT, Department of Chemistry, King's College London, Strand, London WC2R 2LS, UK; MASSIMO OLIVUCCI, Istituto di Chimica Organica, Universitá degli Studi di Siena, Via Aldo Moro, I-53100 Siena, Italy; FERNANDO BERNARDI, MARCO GARAVELLI, Dipartimento di Chimica``G. Ciamician'', Università di Bologna, Via Selmi 2, 40126 Bologna, Italy.

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RH02			15min2:05

ELECTRONIC STATES OF ACTINYL IONS.

R. M. PITZER, J.-P. BLAUDEAU, S. R. BROZELL, S. MATSIKA, Z. ZHANG, Department of Chemistry, Ohio State University, Columbus, OH 43210.

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RH03			15min2:22

THE ELECTRONIC SPECTRA OF THE AMERICYL AND CURYL IONS.

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

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RH04			15min2:39

THE ELECTRONIC STRUCTURE OF THE PLUTONYL ION.

JEAN-PHILIPPE BLAUDEAU, (Present Address: ASC/MSRC 2435 5th St. B676, Wright-Patterson AFB, Ohio, 45433); BRUCE E. BURSTEN AND RUSSELL M. PITZER, Department of Chemistry, The Ohio State University, Columbus, OH 43210.

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RH05			15min2:56

SPECIATION OF THE PLUTONYL FORMS OF PLUTONIUM.

JEAN-PHILIPPE BLAUDEAU, (Present Address: ASC/MSRC 2435 5th St. B676, Wright-Patterson AFB, Ohio, 45433); BRUCE E. BURSTEN, Department of Chemistry, The Ohio State University, Columbus, OH 43210.

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INTERMISSION

RH06			10min3:30

THE IONIZATION ENERGY OF THE DIAZOMETHYL (HCNN) AND CYANAMIDYL (HNCN) RADICALS.

PATRICK E. FLEMING, Department of Chemistry, Santa Clara University, Santa Clara, CA 95053..

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RH07			15min3:42

THEORETICAL PREDICTION OF THE SPECTROSCOPIC CONSTANTS OF FeS: AN AB INITIO MOLECULAR ORBITAL STUDY.

SACHIKO S. ITONO, YUKARI MITSUI, TETSUYA TAKETSUGU, TSUNEO HIRANO, Department of Chemistry, Faculty of Science, Ochanomizu University, Tokyo 112-8610, Japan; UMPEI NAGASHIMA, National Institute for Advanced Interdisciplinary Research, Ibaraki 305-8562, Japan.

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RH08			10min3:59

DFT TEST STUDY ON VAN DER WAALS DIMERS.

A. J. HERNANDEZ, M. C. SALAZAR, Department of Chemistry, Simon Bolivar University, Caracas 1080A, Venezuela; C. E. MANZANARES, Department of Chemistry and Biochemistry, Baylor University, Waco, TX 76798.

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RH09			10min4:11

AB INITIO TEST STUDY ON THE VERTICAL EXCITATION ENERGY OF VAN DER WAALS DIMERS .

M. C. SALAZAR, A. J. HERNANDEZ, Department of Chemistry, Simon Bolivar University, Caracas 1080A, Venezuela; C. E. MANZANARES, Department of Chemistry and Biochemistry, Baylor University, Waco, TX 76798.

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RH10			15min4:23

INTENSITIES OF THE ELECTRONIC SPECTRUM OF NpO₂⁺.

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

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RH11			15min4:40

STRUCTURE AND SPECTRA OF UO₂F₂.

QI WANG AND R. M. PITZER, Department of Chemistry, The Ohio State University, 100 W. 18th Avenue, Columbus, OH, 43210.

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RH12			15min4:57

FREQUENCY ANALYSIS OF BINARY MIXTURES INVOLVING HYDROGEN BONDS.

N. SATHYAN, J. SOBHANADRI AND V. SANTHANAM, DEPARTMENT OF PHYSICS, PRESIDENCY COLLEGE, CHENNAI - 600 005, INDIA.

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