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Structural, electronic, and bonding properties of liquid water from first principles

✍ Scribed by Silvestrelli, Pier Luigi; Parrinello, Michele


Book ID
111953397
Publisher
American Institute of Physics
Year
1999
Tongue
English
Weight
373 KB
Volume
111
Category
Article
ISSN
0021-9606

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Structural, electronic, and bonding prop
✍ Silvestrelli, Pier Luigi; Parrinello, Michele πŸ“‚ Article πŸ“… 1999 πŸ› American Institute of Physics 🌐 English βš– 373 KB

We study, from first principles, structural, electronic, and bonding properties of liquid water. Our system is twice as large as that used in previous ab initio simulations and our computed structural properties are in good agreement with the most recent neutron scattering experiments. Moreover, the