Temperature dependent structural variations of OH−(H2O)n, n = 4–7: effects on vibrational and photoelectron spectra

The effect of large amplitude motions on the vibrational intensities in hydrogen bonded complexes

(2015) Kasper Mackeprang et al.   JOURNAL OF CHEMICAL PHYSICS

Isolating the spectral signature of H3O+ in the smallest droplet of dissociated HCl acid

(2015) John S. Mancini et al.   PHYSICAL CHEMISTRY CHEMICAL PHYSICS

Why does the IR spectrum of hydroxide stretching vibration weaken with increase in hydration?

(2014) Masato Morita et al.   PHYSICAL CHEMISTRY CHEMICAL PHYSICS

Vibrational spectral signature of the proton defect in the three-dimensional H+(H2O)21 cluster

(2014) J. A. Fournier et al.   SCIENCE

Different structures give similar vibrational spectra: The case of OH− in aqueous solution

(2013) Pavlin D. Mitev et al.   JOURNAL OF CHEMICAL PHYSICS

Hydration structure and dynamics of a hydroxide ion in water clusters of varying size and temperature: Quantum chemical and ab initio molecular dynamics studies

(2012) Arindam Bankura et al.   CHEMICAL PHYSICS

Theoretical study on the difference of OH vibrational spectra between OH−(H2O)3 and OH−(H2O)4

(2012) Masato Morita et al.   PHYSICAL CHEMISTRY CHEMICAL PHYSICS

Multidimensional OH local mode calculations for OH−(H2O)3—Importance of intermode anharmonicity

(2012) Masato Morita et al.   PHYSICAL CHEMISTRY CHEMICAL PHYSICS

The vibrating hydroxide ion in water

(2011) Kersti Hermansson et al.   CHEMICAL PHYSICS LETTERS

The reorientation mechanism of hydroxide ions in water: A molecular dynamics study

(2009) Xiuquan Sun et al.   CHEMICAL PHYSICS LETTERS

A Hierarchical Approach to Study the Thermal Behavior of Protonated Water Clusters H+(H2O)n

(2009) Quoc Chinh Nguyen et al.   Journal of Chemical Theory and Computation

Observation of a Zundel-like transition state during proton transfer in aqueous hydroxide solutions

(2009) S. T. Roberts et al.   PROCEEDINGS OF THE NATIONAL ACADEMY OF SCIENCES OF THE UNITED STATES OF AMERICA

Structure, stability, and infrared spectroscopy of (H2O)nNH4+ clusters: A theoretical study at zero and finite temperature

(2008) J. Douady et al.   JOURNAL OF CHEMICAL PHYSICS

The structure of aqueous sodium hydroxide solutions: A combined solution x-ray diffraction and simulation study

(2008) Tünde Megyes et al.   JOURNAL OF CHEMICAL PHYSICS

Multiscale Approach to Explore the Potential Energy Surface of Water Clusters (H2O)nn≤ 8

(2008) Quoc Chinh Nguyen et al.   JOURNAL OF PHYSICAL CHEMISTRY A

Interaction between liquid water and hydroxide revealed by core-hole de-excitation

(2008) Emad F. Aziz et al.   NATURE