Signature properties of water: Their molecular electronic origins
نویسندگان
چکیده
منابع مشابه
Signature properties of water: Their molecular electronic origins.
Water challenges our fundamental understanding of emergent materials properties from a molecular perspective. It exhibits a uniquely rich phenomenology including dramatic variations in behavior over the wide temperature range of the liquid into water's crystalline phases and amorphous states. We show that many-body responses arising from water's electronic structure are essential mechanisms har...
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چکیده ندارد.
15 صفحه اولElectronic properties of a methane–water solution
0009-2614/$ see front matter 2011 Elsevier B.V. A doi:10.1016/j.cplett.2011.03.013 ⇑ Corresponding author at: Departamento de Quími Ciências, Universidade de Lisboa, 1749-016 Lisboa, Po E-mail address: [email protected] (B.J.C. Cabral). Electronic properties of a methane–water solution were investigated by a sequential quantum mechanical/molecular dynamics approach. Upon hydration methane acquir...
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ژورنال
عنوان ژورنال: Proceedings of the National Academy of Sciences
سال: 2015
ISSN: 0027-8424,1091-6490
DOI: 10.1073/pnas.1418982112