201st Meeting - Philadelphia, PA
May 12-17, 2002
PROGRAM INFORMATION
V6 - Energetics and Structures
Fullerenes
Monday, May 13, 2002
Conference Rooms 414-415, Level 4
Session III: Energetics and Structures
Co-Chairs: Z. Slania and O.V. Boltalina
Time | Abs# | Title |
10:00 | 931 |
Fragmentation and Ionization of Laser Desorbed La@C82 - A.
Lassesson, A. Gromov (Goteborg University), H. Shinohara (Nagoya University), and E. Campbell
(Goteborg University) |
10:30 | 932 |
Stabilities, Hydrolysis Reactions, and Further Fluorinations of C60Fx Compounds -
O.V. Boltalina, I. Ioffe, Y. Makeev, N. Denisenko, A. Goryunkov, V. Markov, and A. Streletskii (Moscow State University) |
11:00 | 933 |
Phase Transformations in Pressure Polymerized C60: Enthalpies and Kinetic Parameters -
M.V. Korobov, V.M. Senyavin, E.B. Stukalin, A.G. Bogachev, N.V. Avramenko (Moscow State University),
V.A. Davydov, L.S. Kashevarova, A.V. Rakmanina (Russian Academy of Sciences), V. Agafonov
(l'Universite de Tours), and A. Szwarc (Universite Paris IX) |
11:30 | 934 |
C60F36 - There is a Third Isomer! - A.
Avent, P. Hitchcock, and R. Taylor (Sussex University) |
Session III: Energetics and Structures
Co-Chairs: Z. Slania and O.V. Boltalina
Time | Abs# | Title |
2:00 | 935 |
The Aromaticity in Bowl-shaped Polycyclic Aromatic Hydrocarbons - M.
Sola, J. Poater, M. Duran, and X. Fradera (University of Girona) |
2:30 | 936 |
Computed Enthalpy-Entropy Interplay for Isomeric Fullerenes - Z. Slanina (Institute of Chemistry), X. Zhao (Department of Knowledge-Based Information Engineering, Toyohashi University of Technology), and F. Uhlik (Charles University) |
3:00 | 937 |
Molecular Dynamics Simulations of Fullerenes and Carbon Nanotubes in Water - R. Jaffe (NASA Ames Research Center), J. Walther, E.
Kotsalis, T. Werder, P. Koumoutsakos (Institute for Computational Sciences), and T. Halicioglu
(ELORET, Inc.) |
3:30 | 938 |
Bowl Shaped Precursors of Fullerenes I -
E.E. Pasqualini and M. Lopez (Comision Nacional de Energia Atomica) |
4:00 | |
Fifteen-Minute Intermission - |
4:15 | 939 |
Environmental Monitoring by Electronic Nose Sensors: A Molecular Modeling Study - A.
Shevade, A. Ryan, M. Homer, A. Manfreda, H. Zhou, and K. Manatt (California Institute of Technology) |
4:45 | 940 |
Fullerene Formation Kinetics in Carbon Vapors II -
E.E. Pasqualini and M. Lopez (Comision Nacional de Energia Atomica) |
5:10 | 941 |
New Polymer Forms of Carbon Fullerenes and Nanotubes: Modeling and Interpretation of Experimental Data - L.
Chernozatonskii, A. Chistyakov, E. Galpern (Russian Academy of Sciences), M. Menon (University of Kentucky), A.
Sabirov, and I. Stankevich (Russian Academy of Sciences) |
5:35 | 942 |
Structure and Properties of Onion-like Carbon Produced via Annealing of Nanodiamond - V.
Kuznetsov, Y. Butenko, A. Chuvilin (Boreskov Institute of Catalysis), A.
Okotrub, L. Bulusheva, and A. Romanenko (Institute of Inorganic Chemistry) |
6:00 | 943 |
DFT/PBE Study of IE. EA, Cation and Anion Structures of Functional Substituted Fullerenes - V.V.
Zverev, V.V. Yanilkin, V.P. Gubskaya, and I.A. Nuretdinov (Russian Academy of Sciences) |
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