Hydrogen Bond Cooperativity and the Three-Dimensional Structures of Water Nonamers and Decamers

Broadband Fourier transform rotational spectroscopy for structure determination: The water heptamer

(2013) Cristóbal Pérez et al.   CHEMICAL PHYSICS LETTERS

Optimal geometries and harmonic vibrational frequencies of the global minima of water clusters (H2O)n, n = 2–6, and several hexamer local minima at the CCSD(T) level of theory

(2013) Evangelos Miliordos et al.   JOURNAL OF CHEMICAL PHYSICS

The water hexamer: Three-body interactions, structures, energetics, and OH-stretch spectroscopy at finite temperature

(2012) C. J. Tainter et al.   JOURNAL OF CHEMICAL PHYSICS

Strength of hydrogen bonds of water depends on local environment

(2012) Matej Huš et al.   JOURNAL OF CHEMICAL PHYSICS

Hydrogen Bonding and OH-Stretch Spectroscopy in Water: Hexamer (Cage), Liquid Surface, Liquid, and Ice

(2012) C. J. Tainter et al.   Journal of Physical Chemistry Letters

Toward a Universal Water Model: First Principles Simulations from the Dimer to the Liquid Phase

(2012) Volodymyr Babin et al.   Journal of Physical Chemistry Letters

Interplay of Intra- and Intermolecular H-Bonding in a Progressively Solvated Macrocyclic Peptide

(2012) N. S. Nagornova et al.   SCIENCE

Structures of Cage, Prism, and Book Isomers of Water Hexamer from Broadband Rotational Spectroscopy

(2012) C. Perez et al.   SCIENCE

Robust three-body water simulation model

(2011) C. J. Tainter et al.   JOURNAL OF CHEMICAL PHYSICS

Flexible, ab initio potential, and dipole moment surfaces for water. I. Tests and applications for clusters up to the 22-mer

(2011) Yimin Wang et al.   JOURNAL OF CHEMICAL PHYSICS

Accurate Predictions of Water Cluster Formation, (H2O)n=2−10

(2010) Robert M. Shields et al.   JOURNAL OF PHYSICAL CHEMISTRY A

Effect of hydrogen bond cooperativity on the behavior of water

(2010) K. Stokely et al.   PROCEEDINGS OF THE NATIONAL ACADEMY OF SCIENCES OF THE UNITED STATES OF AMERICA

Towards the complete understanding of water by a first-principles computational approach

(2009) Krzysztof Szalewicz et al.   CHEMICAL PHYSICS LETTERS

Identifying the most stable networks in polyhedral water clusters

(2008) Mikhail V. Kirov et al.   CHEMICAL PHYSICS LETTERS