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Title
Chemist -
Email
manaa1@llnl.gov -
Phone
(925) 423-8668 -
Organization
Not Available
Research Interests
- Aspects of energy transfer pathways in molecular and nanoscale materials
- Electronic structure aspects of nonclassical processes
- Optical properties of nano/energetic materials mixtures
- Reactive properties of materials under extreme conditions
- Simulations and mechanistic studies of chemical reactions
- Structure, reactivity, and energetic of energy-rich molecular systems
Ph.D., Physical Chemistry, The Johns Hopkins University, 1992
M.A., Johns Hopkins University, 1989
B.S., Metropolitan State College, 1986
- 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).