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Quantum Mechanical Studies of Nonadiabatic Systems

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개인저자Fuemmeler, Eric Gabriel.
단체저자명Cornell University. Chemistry & Chemical Biology.
서명/저자사항Quantum Mechanical Studies of Nonadiabatic Systems.
발행사항[S.l.] : Cornell University., 2018
발행사항Ann Arbor : ProQuest Dissertations & Theses, 2018
형태사항112 p.
소장본 주기School code: 0058.
ISBN9780438027299
일반주기 Source: Dissertation Abstracts International, Volume: 79-10(E), Section: B.
Adviser: Nandini Ananth.
요약Understanding nonadiabatic processes is tantamount to understanding the mechanisms underlying phenomena such as energy transfer in photovoltaic cells and catalysis at metal surfaces. A complete quantum description of such events is unfortunately
요약We discuss two specific systems in which these states have been calculated, allowing for accurate dynamical simulations to be carried out. The first system described here is a model for intramolecular singlet fission in bipentacenes. Singlet fis
요약Bipentacenes are not only interesting for their singlet fission capabilities, but also for their unusual spectral features in the visible region. Depending on bonding geometries, the spectrum of bipentacenes can be significantly altered (a secon
요약Finally, we discuss a model for energy transfer between diatomics and metal surfaces. Despite being extensively studied experimentally, an adequate theoretical model, accurate across all experimental regimes, has not emerged. Exploiting the simp
일반주제명Chemistry.
언어영어
기본자료 저록Dissertation Abstracts International79-10B(E).
Dissertation Abstract International
대출바로가기http://www.riss.kr/pdu/ddodLink.do?id=T14998365

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