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

Polarization dependent resonant x-ray emission spectroscopy of D2O and H2O water: Assignment of the local molecular orbital symmetry

(2012) Lars G. M. Pettersson et al.   JOURNAL OF CHEMICAL PHYSICS

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

(2012) Lingzhu Kong et al.   PHYSICAL REVIEW B

Perspective on the structure of liquid water

(2011) A. Nilsson et al.   CHEMICAL PHYSICS

Charge-transfer and the hydrogen bond: Spectroscopic and structural implications from electronic structure calculations

(2011) Eloy Ramos-Cordoba et al.   FARADAY DISCUSSIONS

Assessment of the performance of common density functional methods for describing the interaction energies of (H2O)6 clusters

(2010) F.-F. Wang et al.   JOURNAL OF CHEMICAL PHYSICS

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

(2010) Takashi Tokushima et al.   JOURNAL OF ELECTRON SPECTROSCOPY AND RELATED PHENOMENA

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

(2010) M. Leetmaa et al.   JOURNAL OF ELECTRON SPECTROSCOPY AND RELATED PHENOMENA

The structure of ambient water

(2010) Gary N.I. Clark et al.   MOLECULAR PHYSICS

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

(2010) Wei Chen et al.   PHYSICAL REVIEW LETTERS

Small-angle scattering and the structure of ambient liquid water

(2010) G. N. I. Clark et al.   PROCEEDINGS OF THE NATIONAL ACADEMY OF SCIENCES OF THE UNITED STATES OF AMERICA

Recent water myths

(2010) Alan K. Soper   PURE AND APPLIED CHEMISTRY

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

(2009) H. J. Bakker et al.   CHEMICAL REVIEWS

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

(2009) Thomas D. Kühne et al.   Journal of Chemical Theory and Computation

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

(2009) Kjartan T. Wikfeldt 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

The inhomogeneous structure of water at ambient conditions

(2009) C. Huang et al.   PROCEEDINGS OF THE NATIONAL ACADEMY OF SCIENCES OF THE UNITED STATES OF AMERICA

High resolution X-ray emission spectroscopy of liquid water: The observation of two structural motifs

(2008) T. Tokushima et al.   CHEMICAL PHYSICS LETTERS

Electron Donation in the Water-Water Hydrogen Bond

(2008) Rustam Z. Khaliullin et al.   CHEMISTRY-A EUROPEAN JOURNAL

Diffraction and IR/Raman data do not prove tetrahedral water

(2008) Mikael Leetmaa et al.   JOURNAL OF CHEMICAL PHYSICS

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

(2008) Rustam Z. Khaliullin et al.   JOURNAL OF CHEMICAL PHYSICS

X-ray absorption spectra of hexagonal ice and liquid water by all-electron Gaussian and augmented plane wave calculations

(2008) Marcella Iannuzzi   JOURNAL OF CHEMICAL PHYSICS