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

Effect of Microhydration on Dissociation of Trifluoroacetic Acid

(2014) Parvathi Krishnakumar et al.   JOURNAL OF PHYSICAL CHEMISTRY A

Evolution of Hydrogen-Bond Networks in Protonated Water Clusters H+(H2O)n (n = 1 to 120) Studied by Cryogenic Ion Mobility-Mass Spectrometry

(2014) Kelly A. Servage et al.   Journal of Physical Chemistry Letters

Effects of Zero-Point Delocalization on the Vibrational Frequencies of Mixed HCl and Water Clusters

(2014) John S. Mancini et al.   Journal of Physical Chemistry Letters

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

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

High resolution spectroscopy of HCl–water clusters: IR bands of undissociated and dissociated clusters revisited

(2013) Melanie Letzner et al.   JOURNAL OF CHEMICAL PHYSICS

On-the-fly ab intito calculations of anharmonic vibrational frequencies: Local-monomer theory and application to HCl clusters

(2013) John S. Mancini et al.   JOURNAL OF CHEMICAL PHYSICS

Systematic Study of Structural and Thermodynamic Properties of HCl(H2O)n Clusters from Semiempirical Replica Exchange Simulations

(2013) Wei Lin et al.   JOURNAL OF PHYSICAL CHEMISTRY A

How Much Water Is Needed To Ionize Formic Acid?

(2013) Dilip K. Maity   JOURNAL OF PHYSICAL CHEMISTRY A

Coupling of Low- and High-Frequency Vibrational Modes: Broadening in the Infrared Spectrum of F–(H2O)2

(2013) Eugene Kamarchik et al.   Journal of Physical Chemistry Letters

Revealing the Subtle Interplay of Thermal and Quantum Fluctuation Effects on Contact Ion Pairing in Microsolvated HCl

(2012) Łukasz Walewski et al.   CHEMPHYSCHEM

Quantum Mechanical Study of Sulfuric Acid Hydration: Atmospheric Implications

(2012) Berhane Temelso et al.   JOURNAL OF PHYSICAL CHEMISTRY A

IR Spectroscopy of Protonation in Benzene–Water Nanoclusters: Hydronium, Zundel, and Eigen at a Hydrophobic Interface

(2012) Timothy C. Cheng et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

Vibrational manifestations of strong non-Condon effects in the H3O+·X3 (X = Ar, N2, CH4, H2O) complexes: A possible explanation for the intensity in the “association band” in the vibrational spectrum of water

(2012) Anne B. McCoy et al.   PHYSICAL CHEMISTRY CHEMICAL PHYSICS

Hydrated Acid Clusters

(2011) Kenneth R. Leopold   Annual Review of Physical Chemistry

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

Quantum Induced Bond Centering in Microsolvated HCl: Solvent Separated versus Contact Ion Pairs

(2011) Łukasz Walewski et al.   Journal of Physical Chemistry Letters

Aggregation-Induced Chemical Reactions: Acid Dissociation in Growing Water Clusters

(2011) Harald Forbert et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

Proton transfer and autoionization in HNO3·HCl·(H2O)n particles

(2011) F. Mine Balcı et al.   PHYSICAL CHEMISTRY CHEMICAL PHYSICS

Infrared Spectra and Hydrogen-Bonded Network Structures of Large Protonated Water Clusters H+(H2O)n (n=20-200)

(2010) Kenta Mizuse et al.   ANGEWANDTE CHEMIE-INTERNATIONAL EDITION

Theoretical study on mechanisms of structural rearrangement and ionic dissociation in the HCl(H2O)4 cluster with path-integral molecular dynamics simulations

(2010) Shuichi Sugawara et al.   CHEMICAL PHYSICS LETTERS

Infrared Spectroscopy of Small Protonated Water Clusters, H+(H2O)n(n= 2−5): Isomers, Argon Tagging, and Deuteration

(2010) G. E. Douberly et al.   JOURNAL OF PHYSICAL CHEMISTRY A

Infrared Spectra of HCl−H2O Clusters in Helium Nanodroplets

(2010) Steven D. Flynn et al.   Journal of Physical Chemistry Letters

Permutationally invariant potential energy surfaces in high dimensionality

(2009) Bastiaan J. Braams et al.   INTERNATIONAL REVIEWS IN PHYSICAL CHEMISTRY

Simplified CCSD(T)-F12 methods: Theory and benchmarks

(2009) Gerald Knizia et al.   JOURNAL OF CHEMICAL PHYSICS

Aggregation-Induced Dissociation of HCl(H2O)4 Below 1 K: The Smallest Droplet of Acid

(2009) A. Gutberlet et al.   SCIENCE

Variational quantum approaches for computing vibrational energies of polyatomic molecules

(2008) Joel M Bowman et al.   MOLECULAR PHYSICS