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Dtic Ada363641%3a On The Origin Of Metastability In Energetic Species by Defense Technical Information Center
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1DTIC ADA363641: On The Origin Of Metastability In Energetic Species
By Defense Technical Information Center
The principal focus of this research program is the electronic structure aspects of nonadiabatic processes related to the stability, formation and detection of high energy density materials (HEDMs). During the current grant our work has focused on metal doped hydrogen as cyrogenic fuels. These studies were enabled by a unique system of computer codes, the BROOKLYN programs, that provide advanced capabilities for the study of the electronic structure aspects of spin-conserving and spin-nonconserving electronically nonadiabatic processes and have permitted us to make significant contributions in this area of chemistry. Our most significant algorithmic accomplishment in this grant period has been the development of algorithms for locating intersections of distinct seams of conical intersections. These algorithms proved invaluable in analyzing the seams of conical intersection in Al+H2, B+H2 and C+H2 which are relevant to the kinetic stability of the corresponding van der Waals species in cryogenic H2. We have also investigated the stability, and lifetime with respect to spin-nonconserving radiationless decay of the C2D state of BAr and BNe and the B3P state of CAr. These studies of metal rare gas bonding support the experimental work of P. J. Dagdigian on the detection of metal-rare gas complexes and the work of P. Langhoff on the spectral theory.
“DTIC ADA363641: On The Origin Of Metastability In Energetic Species” Metadata:
- Title: ➤ DTIC ADA363641: On The Origin Of Metastability In Energetic Species
- Author: ➤ Defense Technical Information Center
- Language: English
“DTIC ADA363641: On The Origin Of Metastability In Energetic Species” Subjects and Themes:
- Subjects: ➤ DTIC Archive - Yarkony, David R. - JOHNS HOPKINS UNIV BALTIMORE MD DEPT OF CHEMISTRY - *EXPLOSIVES - *ELECTRONIC STATES - ENERGETIC PROPERTIES.
Edition Identifiers:
- Internet Archive ID: DTIC_ADA363641
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The book is available for download in "texts" format, the size of the file-s is: 22.53 Mbs, the file-s for this book were downloaded 76 times, the file-s went public at Mon Apr 23 2018.
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