Ion Solvation and Transport in Narrow Carbon Nanotubes: Effects of Polarizability, Cation-π Interaction, and Confinement.
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| Title: | Ion Solvation and Transport in Narrow Carbon Nanotubes: Effects of Polarizability, Cation-π Interaction, and Confinement. |
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| Authors: | Aydin F; Quantum Simulations Group, Materials Science Division, Lawrence Livermore National Laboratory, 7000 East Ave, Livermore, California 94550, United States., Moradzadeh A; Department of Mechanical Science and Engineering, University of Illinois at Urbana-Champaign, Urbana, Illinois 61801, United States., Bilodeau CL; Department of Chemical and Biological Engineering and Center for Biotechnology and Interdisciplinary Studies, Rensselaer Polytechnic Institute, Troy, New York 12180, United States., Lau EY; Biosciences and Biotechnology Division, Lawrence Livermore National Laboratory, 7000 East Ave, Livermore, California 94550, United States., Schwegler E; Quantum Simulations Group, Materials Science Division, Lawrence Livermore National Laboratory, 7000 East Ave, Livermore, California 94550, United States., Aluru NR; Department of Mechanical Science and Engineering, University of Illinois at Urbana-Champaign, Urbana, Illinois 61801, United States., Pham TA; Quantum Simulations Group, Materials Science Division, Lawrence Livermore National Laboratory, 7000 East Ave, Livermore, California 94550, United States. |
| Source: | Journal of chemical theory and computation [J Chem Theory Comput] 2021 Mar 09; Vol. 17 (3), pp. 1596-1605. Date of Electronic Publication: 2021 Feb 24. |
| Publication Type: | Journal Article |
| Journal Info: | Publisher: American Chemical Society Country of Publication: United States NLM ID: 101232704 Publication Model: Print-Electronic Cited Medium: Internet ISSN: 1549-9626 (Electronic) Linking ISSN: 15499618 NLM ISO Abbreviation: J Chem Theory Comput Subsets: MEDLINE; PubMed not MEDLINE |
| Database: | MEDLINE Ultimate |
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