标题
Communication: Dielectric properties of condensed systems composed of fragments
作者
关键词
-
出版物
JOURNAL OF CHEMICAL PHYSICS
Volume 149, Issue 5, Pages 051101
出版商
AIP Publishing
发表日期
2018-08-03
DOI
10.1063/1.5044636
参考文献
相关参考文献
注意:仅列出部分参考文献,下载原文获取全部文献信息。- Equilibration and analysis of first-principles molecular dynamics simulations of water
- (2018) William Dawson et al. JOURNAL OF CHEMICAL PHYSICS
- Local and Global Effects of Dissolved Sodium Chloride on the Structure of Water
- (2017) Alex P. Gaiduk et al. Journal of Physical Chemistry Letters
- Local representation of the electronic dielectric response function
- (2015) Xiaochuan Ge et al. PHYSICAL REVIEW B
- First-Principles Framework to Compute Sum-Frequency Generation Vibrational Spectra of Semiconductors and Insulators
- (2015) Quan Wan et al. PHYSICAL REVIEW LETTERS
- The refractive index and electronic gap of water and ice increase with increasing pressure
- (2014) Ding Pan et al. Nature Communications
- Raman Spectra of Liquid Water from Ab Initio Molecular Dynamics: Vibrational Signatures of Charge Fluctuations in the Hydrogen Bond Network
- (2013) Quan Wan et al. Journal of Chemical Theory and Computation
- Dielectric properties of water under extreme conditions and transport of carbonates in the deep Earth
- (2013) D. Pan et al. PROCEEDINGS OF THE NATIONAL ACADEMY OF SCIENCES OF THE UNITED STATES OF AMERICA
- Perspective: Advances and challenges in treating van der Waals dispersion forces in density functional theory
- (2012) Jiří Klimeš et al. JOURNAL OF CHEMICAL PHYSICS
- Maximally localized Wannier functions: Theory and applications
- (2012) Nicola Marzari et al. REVIEWS OF MODERN PHYSICS
- Large variation of vacancy formation energies in the surface of crystalline ice
- (2011) M. Watkins et al. NATURE MATERIALS
- Architecture of Qbox: A scalable first-principles molecular dynamics code
- (2010) F. Gygi IBM JOURNAL OF RESEARCH AND DEVELOPMENT
- The Polarizability of Point-Polarizable Water Models: Density Functional Theory/Molecular Mechanics Results†
- (2008) Bernhard Schropp et al. JOURNAL OF PHYSICAL CHEMISTRY B
- Polarizabilities of individual molecules and ions in liquids from first principles
- (2008) M Salanne et al. JOURNAL OF PHYSICS-CONDENSED MATTER
- Surface Energy and Surface Proton Order of IceIh
- (2008) Ding Pan et al. PHYSICAL REVIEW LETTERS
Find Funding. Review Successful Grants.
Explore over 25,000 new funding opportunities and over 6,000,000 successful grants.
ExploreFind the ideal target journal for your manuscript
Explore over 38,000 international journals covering a vast array of academic fields.
Search