4.8 Article

Electronic signature of the instantaneous asymmetry in the first coordination shell of liquid water

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。
Article Materials Science, Multidisciplinary

Roles of quantum nuclei and inhomogeneous screening in the x-ray absorption spectra of water and ice

Lingzhu Kong et al.

PHYSICAL REVIEW B (2012)

Article Chemistry, Physical

Perspective on the structure of liquid water

A. Nilsson et al.

CHEMICAL PHYSICS (2011)

Review Chemistry, Multidisciplinary

Vibrational Spectroscopy as a Probe of Structure and Dynamics in Liquid Water

H. J. Bakker et al.

CHEMICAL REVIEWS (2010)

Article Spectroscopy

High resolution X-ray emission spectroscopy of water and its assignment based on two structural motifs

Takashi Tokushima et al.

JOURNAL OF ELECTRON SPECTROSCOPY AND RELATED PHENOMENA (2010)

Article Spectroscopy

Theoretical approximations to X-ray absorption spectroscopy of liquid water and ice

M. Leetmaa et al.

JOURNAL OF ELECTRON SPECTROSCOPY AND RELATED PHENOMENA (2010)

Review Chemistry, Physical

INVITED TOPICAL REVIEW The structure of ambient water

Gary N. I. Clark et al.

MOLECULAR PHYSICS (2010)

Article Physics, Multidisciplinary

X-Ray Absorption Signatures of the Molecular Environment in Water and Ice

Wei Chen et al.

PHYSICAL REVIEW LETTERS (2010)

Article Multidisciplinary Sciences

Small-angle scattering and the structure of ambient liquid water

Gary N. I. Clark et al.

PROCEEDINGS OF THE NATIONAL ACADEMY OF SCIENCES OF THE UNITED STATES OF AMERICA (2010)

Article Chemistry, Multidisciplinary

Recent water myths

Alan K. Soper

PURE AND APPLIED CHEMISTRY (2010)

Article Chemistry, Multidisciplinary

Electron Donation in the Water-Water Hydrogen Bond

Rustam Z. Khaliullin et al.

CHEMISTRY-A EUROPEAN JOURNAL (2009)

Article Chemistry, Physical

Static and Dynamical Properties of Liquid Water from First Principles by a Novel Car-Parrinello-like Approach

Thomas D. Kuehne et al.

JOURNAL OF CHEMICAL THEORY AND COMPUTATION (2009)

Article Chemistry, Physical

On the Range of Water Structure Models Compatible with X-ray and Neutron Diffraction Data

Kjartan T. Wikfeldt et al.

JOURNAL OF PHYSICAL CHEMISTRY B (2009)

Review Chemistry, Physical

The Properties of Water: Insights from Quantum Simulations

Francesco Paesani et al.

JOURNAL OF PHYSICAL CHEMISTRY B (2009)

Article Multidisciplinary Sciences

The inhomogeneous structure of water at ambient conditions

C. Huang et al.

PROCEEDINGS OF THE NATIONAL ACADEMY OF SCIENCES OF THE UNITED STATES OF AMERICA (2009)

Article Chemistry, Physical

Diffraction and IR/Raman data do not prove tetrahedral water

Mikael Leetmaa et al.

JOURNAL OF CHEMICAL PHYSICS (2008)

Article Chemistry, Physical

Analysis of charge transfer effects in molecular complexes based on absolutely localized molecular orbitals

Rustam Z. Khaliullin et al.

JOURNAL OF CHEMICAL PHYSICS (2008)

Article Chemistry, Physical

Gaussian basis sets for accurate calculations on molecular systems in gas and condensed phases

Joost VandeVondele et al.

JOURNAL OF CHEMICAL PHYSICS (2007)

Review Chemistry, Physical

Unravelling the origin of intermolecular interactions using absolutely localized molecular orbitals

Rustarn Z. Khaliullin et al.

JOURNAL OF PHYSICAL CHEMISTRY A (2007)

Review Chemistry, Physical

Hydrogen bonding definitions and dynamics in liquid water

R. Kumar et al.

JOURNAL OF CHEMICAL PHYSICS (2007)

Article Physics, Multidisciplinary

Efficient and accurate Car-Parrinello-like approach to Born-Oppenheimer molecular dynamics

Thomas D. Kuhne et al.

PHYSICAL REVIEW LETTERS (2007)

Article Chemistry, Physical

Consequences of chain networks on thermodynamic, dielectric and structural properties for liquid water

Teresa Head-Gordon et al.

PHYSICAL CHEMISTRY CHEMICAL PHYSICS (2007)

Article Chemistry, Physical

Inner-shell spectroscopy by the Gaussian and augmented plane wave method

Marcella Iannuzzi et al.

PHYSICAL CHEMISTRY CHEMICAL PHYSICS (2007)

Article Chemistry, Physical

Probing the local structure of liquid water by x-ray absorption spectroscopy

Jared D. Smith et al.

JOURNAL OF PHYSICAL CHEMISTRY B (2006)

Article Physics, Multidisciplinary

X-ray absorption spectra of water from first principles calculations

D Prendergast et al.

PHYSICAL REVIEW LETTERS (2006)

Article Chemistry, Physical

An efficient self-consistent field method for large systems of weakly interacting components

Rustam Z. Khaliullin et al.

JOURNAL OF CHEMICAL PHYSICS (2006)

Article Multidisciplinary Sciences

Tetrahedral structure or chains for liquid water

Teresa Head-Gordon et al.

PROCEEDINGS OF THE NATIONAL ACADEMY OF SCIENCES OF THE UNITED STATES OF AMERICA (2006)

Article Chemistry, Physical

Molecular dynamics simulation of liquid water: Hybrid density functionals

T Todorova et al.

JOURNAL OF PHYSICAL CHEMISTRY B (2006)

Article Physics, Multidisciplinary

Electrons and hydrogen-bond connectivity in liquid water -: art. no. 016404

MV Fernández-Serra et al.

PHYSICAL REVIEW LETTERS (2006)

Article Materials Science, Multidisciplinary

X-ray absorption spectrum of liquid water from molecular dynamics simulations: Asymmetric model

M Odelius et al.

PHYSICAL REVIEW B (2006)

Article Physics, Condensed Matter

An asymmetric model for water structure

AK Soper

JOURNAL OF PHYSICS-CONDENSED MATTER (2005)

Article Multidisciplinary Sciences

Unified description of temperature-dependent hydrogen-bond rearrangements in liquid water

JD Smith et al.

PROCEEDINGS OF THE NATIONAL ACADEMY OF SCIENCES OF THE UNITED STATES OF AMERICA (2005)

Article Multidisciplinary Sciences

Hydrogen bonds in liquid water are broken only fleetingly

JD Eaves et al.

PROCEEDINGS OF THE NATIONAL ACADEMY OF SCIENCES OF THE UNITED STATES OF AMERICA (2005)

Article Computer Science, Interdisciplinary Applications

QUICKSTEP: Fast and accurate density functional calculations using a mixed Gaussian and plane waves approach

J VandeVondele et al.

COMPUTER PHYSICS COMMUNICATIONS (2005)

Article Multidisciplinary Sciences

An ab initio molecular dynamics study of the aqueous liquid-vapor interface

IFW Kuo et al.

SCIENCE (2004)

Article Multidisciplinary Sciences

Energetics of hydrogen bond network rearrangements in liquid water

JD Smith et al.

SCIENCE (2004)

Article Multidisciplinary Sciences

The structure of the first coordination shell in liquid water

P Wernet et al.

SCIENCE (2004)

Article Multidisciplinary Sciences

Ultrafast hydrogen-bond dynamics in the infrared spectroscopy of water

CJ Fecko et al.

SCIENCE (2003)

Review Chemistry, Multidisciplinary

Water structure from scattering experiments and simulation

T Head-Gordon et al.

CHEMICAL REVIEWS (2002)