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020 ▼a 9780438027299
035 ▼a (MiAaPQ)AAI10817441
035 ▼a (MiAaPQ)cornellgrad:10865
040 ▼a MiAaPQ ▼c MiAaPQ ▼d 248032
0820 ▼a 540
1001 ▼a Fuemmeler, Eric Gabriel.
24510 ▼a Quantum Mechanical Studies of Nonadiabatic Systems.
260 ▼a [S.l.] : ▼b Cornell University., ▼c 2018
260 1 ▼a Ann Arbor : ▼b ProQuest Dissertations & Theses, ▼c 2018
300 ▼a 112 p.
500 ▼a Source: Dissertation Abstracts International, Volume: 79-10(E), Section: B.
500 ▼a Adviser: Nandini Ananth.
5021 ▼a Thesis (Ph.D.)--Cornell University, 2018.
520 ▼a Understanding 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
520 ▼a We 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
520 ▼a Bipentacenes 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
520 ▼a Finally, 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
590 ▼a School code: 0058.
650 4 ▼a Chemistry.
690 ▼a 0485
71020 ▼a Cornell University. ▼b Chemistry & Chemical Biology.
7730 ▼t Dissertation Abstracts International ▼g 79-10B(E).
773 ▼t Dissertation Abstract International
790 ▼a 0058
791 ▼a Ph.D.
792 ▼a 2018
793 ▼a English
85640 ▼u http://www.riss.kr/pdu/ddodLink.do?id=T14998365 ▼n KERIS
980 ▼a 201812 ▼f 2019
990 ▼a 관리자