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020 ▼a 9780438063570
035 ▼a (MiAaPQ)AAI10788675
035 ▼a (MiAaPQ)unc:17675
040 ▼a MiAaPQ ▼c MiAaPQ ▼d 248032
0820 ▼a 540
1001 ▼a Yao, Yi.
24510 ▼a Advancing Molecular Dynamics Simulations of Aqueous Ionic Solutions.
260 ▼a [S.l.] : ▼b The University of North Carolina at Chapel Hill., ▼c 2018
260 1 ▼a Ann Arbor : ▼b ProQuest Dissertations & Theses, ▼c 2018
300 ▼a 162 p.
500 ▼a Source: Dissertation Abstracts International, Volume: 79-10(E), Section: B.
500 ▼a Advisers: Yosuke Kanai
5021 ▼a Thesis (Ph.D.)--The University of North Carolina at Chapel Hill, 2018.
520 ▼a An understanding of aqueous ionic solutions is essential in developing a mechanistic view of many biological systems, industrial processes and others. Examples of important applications include biological processes such as blood pressure control
520 ▼a In my Ph.D. work, I investigated aqueous ionic solution systems by first principles molecular dynamics and advanced classical molecular dynamics with polarizable effects and charge transfer effects included. A single ion in the liquid water syst
590 ▼a School code: 0153.
650 4 ▼a Chemistry.
690 ▼a 0485
71020 ▼a The University of North Carolina at Chapel Hill. ▼b Chemistry.
7730 ▼t Dissertation Abstracts International ▼g 79-10B(E).
773 ▼t Dissertation Abstract International
790 ▼a 0153
791 ▼a Ph.D.
792 ▼a 2018
793 ▼a English
85640 ▼u http://www.riss.kr/pdu/ddodLink.do?id=T14997467 ▼n KERIS
980 ▼a 201812 ▼f 2019
990 ▼a 관리자