Sökning: onr:"swepub:oai:DiVA.org:uu-190319" >
Nuclear Quadrupole ...
Nuclear Quadrupole Interactions in Nuclear Quadrupole Resonance Detection of Energetic and Controlled Materials : Theoretical Study
-
Pati, Ranjit (författare)
-
Pink, R. H. (författare)
-
- Scheicher, Ralph H. (författare)
- Uppsala universitet,Materialteori
-
visa fler...
-
Sahoo, Narayan (författare)
-
Ray, S. N. (författare)
-
Das, T. P. (författare)
-
visa färre...
-
(creator_code:org_t)
- 2012-11-28
- 2012
- Engelska.
-
Ingår i: Applied Magnetic Resonance. - : Springer Science and Business Media LLC. - 0937-9347 .- 1613-7507. ; 43:4, s. 591-617
- Relaterad länk:
-
https://urn.kb.se/re...
-
visa fler...
-
https://doi.org/10.1...
-
visa färre...
Abstract
Ämnesord
Stäng
- There has been a growing interest in nuclear quadrupole resonance (NQR) techniques useful for the detection of explosives and drugs in solid state systems. This paper uses the first-principles one-electron Hartree-Fock theoretical method to study the nuclear quadrupole interaction parameters e (2) qQ and eta for the N-14 nuclei in the explosives RDX and beta-HMX as well as the drugs cocaine and heroin. It has been found in our earlier published investigations reviewed here that there is very good agreement for our calculated e (2) qQ and eta for N-14, for all these four systems, and experiment. We also present our unpublished theoretical results for cocaine with an HCl molecule attached. We successfully explain quantitatively the drastic decrease in e (2) qQ in going to cocaine-HCl from cocaine-free base as well as the observed substantial increase in eta and discuss the implications of these dramatic changes for NQR detection in general.
Ämnesord
- NATURVETENSKAP -- Fysik (hsv//swe)
- NATURAL SCIENCES -- Physical Sciences (hsv//eng)
Publikations- och innehållstyp
- ref (ämneskategori)
- art (ämneskategori)
Hitta via bibliotek
Till lärosätets databas