Structure, Dynamics, and Spectral Diffusion of Water from First-Principles Molecular Dynamics
Author:
Affiliation:
1. Institute for Computational Molecular Science and Department of Chemistry, Temple University, Philadelphia, Pennsylvania 19122, United States
2. Indian Institute of Technology, Kanpur 208016, India
Funder
Basic Energy Sciences
Department of Science and Technology, Ministry of Science and Technology
Council of Scientific and Industrial Research
Publisher
American Chemical Society (ACS)
Subject
Surfaces, Coatings and Films,Physical and Theoretical Chemistry,General Energy,Electronic, Optical and Magnetic Materials
Link
https://pubs.acs.org/doi/pdf/10.1021/jp506120t
Reference95 articles.
1. Water Structure from Scattering Experiments and Simulation
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3. The electronic properties of water molecules in water clusters and liquid water
4. The dipole moment of water. I. Dipole moments and hyperfine properties of H2O and HDO in the ground and excited vibrational states
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