Lawrence Livermore National Laboratory

Riad Manaa

Materials Science Division

 +1 925-423-8668

Ph.D. Physical Chemistry
The Johns Hopkins University
The Johns Hopkins University
Metropolitan State College

Research Interests

Optical properties of nano/energetic materials mixtures. Structure, reactivity, and energetic of energy-rich molecular systems. Reactive properties of materials under extreme conditions. Aspects of energy transfer pathways in molecular and nanoscale materials. Simulations and mechanistic studies of chemical reactions. Electronic structure aspects of nonclassical processes.

Selected Recent Publications

Manaa, M. R., Goncharov, A. F., Hemley, R. J., and Bini, R., Editors, Materials Research at High Pressure, MRS Symposium Proceedings, Vol. 987 (2007).

Manaa, M. R., "Enhanced Energetic Stability and Optical Activity of Symmetry-Reduced C60," Chemical Physics Letters 424, 139 (2006).

Manaa, M. R., Chemistry at Extreme Conditions, Elsevier, Amsterdam, The Netherlands (2005).

Manaa, M. R., et al., "Flash Ignition and Initiation of Explosives-Nanotubes  Mixture," Journal of the American Chemical Society 127,  13786 (2005).

Goncharov, A. F., Manaa, M. R., et al., "Polymerization of Formic Acid under High Pressure," Physical Review Letters 94, 065505 (2005).

Manaa, M. R., "Electronic Structure of Solid C48N12 Azafullerene," Solid  State Communications 129, 379 (2004).

Xie, R. H., G. W. Bryant, G. Sun, M. C. Nicklaus, D. Heringer, Th. Frauenheim, M. R. Manaa, V. H. Smith, Y. Araki, and O. Ito, "Excitations, Optical  Absorption Spectra, and Optical Excitonic Gaps of Heterofullerenes. I. C60,  C59N+, and C48N12: Theory and Experiment," Journal of Chemical Physics  120,  5133 (2004).

Manaa, M. R., E. J. Reed, L. E. Fried, G. Galli, and F. Gygi, "Early Chemistry of Hot and Dense Nitromethane: Molecular Dynamics Simulations," Journal  of Chemical Physics 120, 10146 (2004).

Manaa, M. R., "Shear-Induced Metallization of Triamino-trinitrobenzene  Crystals," Applied Physics Letters 83, 1352 (2003).

Margetis, D., E. Kaxiras, M. Elstner, Th. Frauenheim, and M. R. Manaa, “Electronic  Structure Aspects of Solid Nitromethane: Effects of High Pressure and Molecular  Vacancies,” Journal of Chemical Physics 117, 788 (2002).

Manaa, M. R., L. E. Fried, C. F. Melius, M. Elstner, and  Th. Frauenheim, “The  Decomposition of HMX at Extreme Conditions: A Molecular Dynamics Simulation,” Journal  of Physical Chemistry A 106, 9024 (2002).

Manaa, M. R., A. J. Ross, F. Martin, P. Crozet, A. M. Lyyra,  L. Li, C. Amiot, and T. Bergeman, "Spin-Orbit Interactions, New Spectral  Data, and Deperturbation of the Coupled b 3P u and A 1S+u States of K2," Journal  of Chemical Physics 117, 11208 (2002).

Manaa, M. R., D. W. Sprehn, and H. A. Ichord, "Prediction  of Extended Aromaticity for a Novel C48N12 Aza-Fullerene Structure," Journal  of the American Chemical Society 124, 13990 (2002).

Manaa, M. R., " Toward new energy-rich molecular systems: From N10 to N60.” Chemical Physics Letters 331, 262 (2000).

Manaa, M. R., D. R. Yarkony, " On the role of conical intersections of two potential energy surfaces of the same symmetry in photodissociation.  II. CH3SCH3 ®  CH3S + CH3." Journal of the American Chemical Society 116, 11444 (1994).

Manaa, M. R., D. R. Yarkony, " On the intersection of potential energy surfaces of the same symmetry: Systematic characterization using a Lagrange multiplier constrained procedure." Journal of Chemical Physics 99, 5251 (1993).

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