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

Widening of the hydrogen bonded OH-streching bands due to the wagging and OO-stretching modes in H2O·H2O

(2011) Anna L. Garden et al.   CHEMICAL PHYSICS LETTERS

The vibrating hydroxide ion in water

(2011) Kersti Hermansson et al.   CHEMICAL PHYSICS LETTERS

Ab initio potential and dipole moment surfaces for water. II. Local-monomer calculations of the infrared spectra of water clusters

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

Infrared Spectroscopy of Mn+(H2O) and Mn2+(H2O) via Argon Complex Predissociation

(2011) P. D. Carnegie et al.   JOURNAL OF PHYSICAL CHEMISTRY A

Theoretical Calculation of the OH Vibrational Overtone Spectra of 1-nAlkane Diols (n= 2–4): Origin of Disappearing Hydrogen-Bonded OH Peak

(2011) Yu-Lung Cheng et al.   JOURNAL OF PHYSICAL CHEMISTRY A

Revisiting Li+(H2O)3–4Ar1 Clusters: Evidence of High-Energy Conformers from Infrared Spectra

(2011) Oscar Rodriguez et al.   Journal of Physical Chemistry Letters

Infrared photodissociation spectroscopy of H+(H2O)6·Mm (M = Ne, Ar, Kr, Xe, H2, N2, and CH4): messenger-dependent balance between H3O+ and H5O2+ core isomers

(2011) Kenta Mizuse et al.   PHYSICAL CHEMISTRY CHEMICAL PHYSICS

Towards an ab initio flexible potential for water, and post-harmonic quantum vibrational analysis of water clusters

(2010) Yimin Wang et al.   CHEMICAL PHYSICS LETTERS

Infrared and Raman line shapes for ice Ih. I. Dilute HOD in H2O and D2O

(2010) F. Li et al.   JOURNAL OF CHEMICAL PHYSICS

Anharmonicity and the Eigen-Zundel Dilemma in the IR Spectrum of the Protonated 21 Water Cluster

(2010) Miquel Torrent-Sucarrat et al.   Journal of Chemical Theory and Computation

Theoretical study on the effect of intramolecular hydrogen bonding on OH stretching overtone decay lifetime of ethylene glycol, 1,3-propanediol, and 1,4-butanediol

(2010) Kaito Takahashi   PHYSICAL CHEMISTRY CHEMICAL PHYSICS

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

(2009) Xiuquan Sun et al.   CHEMICAL PHYSICS LETTERS

Evaluation of B3LYP, X3LYP, and M06-Class Density Functionals for Predicting the Binding Energies of Neutral, Protonated, and Deprotonated Water Clusters

(2009) Vyacheslav S. Bryantsev et al.   Journal of Chemical Theory and Computation

Fully Integrated Approach to Compute Vibrationally Resolved Optical Spectra: From Small Molecules to Macrosystems

(2009) Vincenzo Barone et al.   Journal of Chemical Theory and Computation

Calculation of Overtone O−H Stretching Bands and Intensities of the Water Trimer

(2009) Teemu Salmi et al.   JOURNAL OF PHYSICAL CHEMISTRY A

Anharmonicities and Isotopic Effects in the Vibrational Spectra of X−·H2O, ·HDO, and ·D2O [X = Cl, Br, and I] Binary Complexes†

(2009) Samantha Horvath et al.   JOURNAL OF PHYSICAL CHEMISTRY A

Weakly Bound Molecules in the Atmosphere: A Case Study of HOOO

(2008) Craig Murray et al.   ACCOUNTS OF CHEMICAL RESEARCH

Dynamics of hydrogen-bonded OH stretches as revealed by single-mode infrared-ultraviolet laser double resonance spectroscopy on supersonically cooled clusters of phenol

(2008) Atsushi Doi et al.   JOURNAL OF CHEMICAL PHYSICS

Calculation of the O−H Stretching Vibrational Overtone Spectrum of the Water Dimer

(2008) Teemu Salmi et al.   JOURNAL OF PHYSICAL CHEMISTRY A

Calculation of Vibrational Transition Frequencies and Intensities in Water Dimer:  Comparison of Different Vibrational Approaches

(2008) Henrik G. Kjaergaard et al.   JOURNAL OF PHYSICAL CHEMISTRY A