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Electron Recombinat...
Electron Recombination with Small Molecular Ions
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- Brinne Roos, Johanna, 1976- (author)
- KTH,Teoretisk kemi
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- Ågren, Hans (thesis advisor)
- KTH,Skolan för bioteknologi (BIO)
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- Larson, Åsa (thesis advisor)
- KTH,Teoretisk kemi
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- Karlsson, Hans, Dr (opponent)
- Institutionen för fysikalisk och analytisk kemi, Uppsala Universitet
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(creator_code:org_t)
- ISBN 9789171786814
- Stockholm : KTH, 2007
- English iv, 33 s.
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Series: Trita-BIO-Report, 1654-2312
- Related links:
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https://kth.diva-por... (primary) (Raw object)
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https://urn.kb.se/re...
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Abstract
Subject headings
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- In this thesis I have theoretically studied electron recombination processes with small molecular ions. In these kind of processes resonant states are involved. To calculate the potential energy for these states as a function of internuclear distance, structure calculations and scattering calculations have to be performed. So far I have been studying the ion-pair formation with in electron recombination with H3+. The cross section for this process has been calculated using different kind of models, both a time dependent quantum mechanical and a semiclassical. I have also studied the direct process of dissociative recombination of HF+. To calculate the total cross section for this process, we have performed wave packet propagation on thirty resonant states and summed up the individual cross sections for these states. The cross sections for both these processes have a similar appearance to those measured experimentally in the ion storage ring CRYRING in Stockholm.
Subject headings
- NATURVETENSKAP -- Kemi -- Teoretisk kemi (hsv//swe)
- NATURAL SCIENCES -- Chemical Sciences -- Theoretical Chemistry (hsv//eng)
Keyword
- dissociative recombination
- ion-pair formation
- resonant states
- wave packet
- molecular dynamics
- electron scattering
- Theoretical chemistry
- Teoretisk kemi
Publication and Content Type
- vet (subject category)
- lic (subject category)
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