Re-examining the properties of the aqueous vapor–liquid interface using dispersion corrected density functional theory
出版年份 2011 全文链接
标题
Re-examining the properties of the aqueous vapor–liquid interface using dispersion corrected density functional theory
作者
关键词
-
出版物
JOURNAL OF CHEMICAL PHYSICS
Volume 135, Issue 12, Pages 124712
出版商
AIP Publishing
发表日期
2011-10-03
DOI
10.1063/1.3633239
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。- Robust three-body water simulation model
- (2011) C. J. Tainter et al. JOURNAL OF CHEMICAL PHYSICS
- Communication: The effect of dispersion corrections on the melting temperature of liquid water
- (2011) Soohaeng Yoo et al. JOURNAL OF CHEMICAL PHYSICS
- Understanding the Surface Potential of Water
- (2011) Shawn M. Kathmann et al. JOURNAL OF PHYSICAL CHEMISTRY B
- Toward an Understanding of the Specific Ion Effect Using Density Functional Theory
- (2011) Marcel D. Baer et al. Journal of Physical Chemistry Letters
- Hydrogen bonding at the water surface revealed by isotopic dilution spectroscopy
- (2011) Igor V. Stiopkin et al. NATURE
- Aqueous Basic Solutions: Hydroxide Solvation, Structural Diffusion, and Comparison to the Hydrated Proton
- (2010) Dominik Marx et al. CHEMICAL REVIEWS
- Molecular packing and chemical association in liquid water simulated using ab initio hybrid Monte Carlo and different exchange-correlation functionals
- (2010) Valéry Weber et al. JOURNAL OF CHEMICAL PHYSICS
- Communication: Thermodynamics of water modeled using ab initio simulations
- (2010) Valéry Weber et al. JOURNAL OF CHEMICAL PHYSICS
- Electrons in Cold Water Clusters: An ab Initio Molecular Dynamics Study of Localization and Metastable States
- (2010) Ondrej Marsalek et al. Journal of Physical Chemistry C
- New Insights into the Structure of the Vapor/Water Interface from Large-Scale First-Principles Simulations
- (2010) Thomas D. Kühne et al. Journal of Physical Chemistry Letters
- Dynamics of Electron Localization in Warm versus Cold Water Clusters
- (2010) Ondrej Marsalek et al. PHYSICAL REVIEW LETTERS
- Hydrogen bonding strength of interfacial water determined with surface sum-frequency generation
- (2009) Maria Sovago et al. CHEMICAL PHYSICS LETTERS
- Sum-frequency vibrational spectroscopic studies of water/vapor interfaces
- (2009) C.S. Tian et al. CHEMICAL PHYSICS LETTERS
- Specific ion adsorption at the air/water interface: The role of hydrophobic solvation
- (2009) Dominik Horinek et al. CHEMICAL PHYSICS LETTERS
- Hydroxide anion at the air–water interface
- (2009) Christopher J. Mundy et al. CHEMICAL PHYSICS LETTERS
- Specific Na+ and K+ cation effects on the interfacial water molecules at the air/aqueous salt solution interfaces probed with nonresonant second harmonic generation
- (2009) Hong-tao Bian et al. JOURNAL OF CHEMICAL PHYSICS
- Spectroscopic evidence for the specific Na+ and K+ interactions with the hydrogen-bonded water molecules at the electrolyte aqueous solution surfaces
- (2009) Ran-ran Feng et al. JOURNAL OF CHEMICAL PHYSICS
- Quantum dynamical effects in liquid water: A semiclassical study on the diffusion and the infrared absorption spectrum
- (2009) Jian Liu et al. JOURNAL OF CHEMICAL PHYSICS
- Direct evidence for orientational flip-flop of water molecules at charged interfaces: A heterodyne-detected vibrational sum frequency generation study
- (2009) JOURNAL OF CHEMICAL PHYSICS
- Competing quantum effects in the dynamics of a flexible water model
- (2009) Scott Habershon et al. JOURNAL OF CHEMICAL PHYSICS
- Investigating Hydroxide Anion Interfacial Activity by Classical and Multistate Empirical Valence Bond Molecular Dynamics Simulations
- (2009) Collin D. Wick et al. JOURNAL OF PHYSICAL CHEMISTRY A
- Isobaric−Isothermal Molecular Dynamics Simulations Utilizing Density Functional Theory: An Assessment of the Structure and Density of Water at Near-Ambient Conditions
- (2009) Jochen Schmidt et al. JOURNAL OF PHYSICAL CHEMISTRY B
- The Properties of Water: Insights from Quantum Simulations†
- (2009) Francesco Paesani et al. JOURNAL OF PHYSICAL CHEMISTRY B
- Hydrogen Forms in Water by Proton Transfer to a Distorted Electron
- (2009) Ondrej Marsalek et al. JOURNAL OF PHYSICAL CHEMISTRY B
- Electronic Effects on the Surface Potential at the Vapor−Liquid Interface of Water
- (2009) Shawn M. Kathmann et al. JOURNAL OF THE AMERICAN CHEMICAL SOCIETY
- Polarizable Ions at Interfaces
- (2009) Yan Levin PHYSICAL REVIEW LETTERS
- On the fluctuations that drive small ions toward, and away from, interfaces between polar liquids and their vapors
- (2009) J. Noah-Vanhoucke et al. PROCEEDINGS OF THE NATIONAL ACADEMY OF SCIENCES OF THE UNITED STATES OF AMERICA
- Is the liquid water surface basic or acidic? Macroscopic vs. molecular-scale investigations
- (2008) Poul B. Petersen et al. CHEMICAL PHYSICS LETTERS
- Revisiting the total ion yield x-ray absorption spectra of liquid water microjets
- (2008) Christopher D Cappa et al. JOURNAL OF PHYSICS-CONDENSED MATTER
- Electronic Effects on the Surface Potential at the Vapor−Liquid Interface of Water
- (2008) Shawn M. Kathmann et al. JOURNAL OF THE AMERICAN CHEMICAL SOCIETY
- Interfacial Structures of Acidic and Basic Aqueous Solutions
- (2008) Chuanshan Tian et al. JOURNAL OF THE AMERICAN CHEMICAL SOCIETY
- Characterization of Vibrational Resonances of Water-Vapor Interfaces by Phase-Sensitive Sum-Frequency Spectroscopy
- (2008) N. Ji et al. PHYSICAL REVIEW LETTERS
Add your recorded webinar
Do you already have a recorded webinar? Grow your audience and get more views by easily listing your recording on Peeref.
Upload NowCreate your own webinar
Interested in hosting your own webinar? Check the schedule and propose your idea to the Peeref Content Team.
Create Now