Vibrational spectroscopic studies of aqueous interfaces: salts, acids, bases, and nanodrops

S Gopalakrishnan, D Liu, HC Allen, M Kuo… - Chemical …, 2006 - ACS Publications
The ubiquitous nature of water makes the study of water both practical and relevant. Yet in
this advanced technological age, many important, fundamental questions remain …

Microphysics and heterogeneous chemistry of polar stratospheric clouds

T Peter - Annual Review of Physical Chemistry, 1997 - annualreviews.org
▪ Abstract Liquid and solid particles in polar stratospheric clouds are of central importance
for the depletion of stratospheric ozone. Surface-catalyzed reactions on these particles, and …

Chemical kinetics and photochemical data for use in atmospheric studies evaluation number 15

SP Sander, RR Friedl, DM Golden, MJ Kurylo… - 2006 - ntrs.nasa.gov
This is the fifteenth in a series of evaluated sets of rate constants and photochemical cross
sections compiled by the NASA Panel for Data Evaluation. The data are used primarily to …

[書籍][B] Multidimensional quantum dynamics: MCTDH theory and applications

HD Meyer, F Gatti, GA Worth - 2009 - books.google.com
The first book dedicated to this new and powerful computational method begins with a
comprehensive description of MCTDH and its theoretical background. There then follows a …

Chemical kinetics and photochemical data for use in stratospheric modeling evaluation Number 8

WB DeMore, MJ Molina, SP Sander, DM Golden… - 1987 - ntrs.nasa.gov
This is the eighth in a series of evaluated sets of rate constants and photochemical cross
sections compiled by the NASA Panel for Data Evaluation. The primary application of the …

Molecular Mechanism of HCl Acid Ionization in Water:  Ab Initio Potential Energy Surfaces and Monte Carlo Simulations

K Ando, JT Hynes - The Journal of Physical Chemistry B, 1997 - ACS Publications
The acid ionization of HCl in water is examined via a combination of electronic structure
calculations with ab initio molecular orbital methods and Monte Carlo computer simulations …

The uptake of acidic gases on ice

T Huthwelker, M Ammann, T Peter - Chemical reviews, 2006 - ACS Publications
This paper reviews experimental and theoretical work on the nonreactive uptake of acidic
trace gases such as HCl, HNO3, HBr, HONO, and SO2 on ice. The focus is on work …

Quantum dynamical approach to ultrafast molecular desorption from surfaces

P Saalfrank - Chemical reviews, 2006 - ACS Publications
The desorption of atoms or molecules from solid surfaces is a key step in heterogeneous
catalysis, photocatalysis, electrochemistry, and surface nanochemistry. The breaking of a …

Molecular dynamics simulation of hydrochloric acid ionization at the surface of stratospheric ice

BJ Gertner, JT Hynes - Science, 1996 - science.org
Molecular dynamics simulations were used to study the acid ionization of hydrochloric acid
(HCl) at the basal plane surface of ice at 190 kelvin, as a model for the acid ionization …

Elementary steps at the surface of ice crystals visualized by advanced optical microscopy

G Sazaki, S Zepeda, S Nakatsubo… - Proceedings of the …, 2010 - National Acad Sciences
Due to the abundance of ice on earth, the phase transition of ice plays crucially important
roles in various phenomena in nature. Hence, the molecular-level understanding of ice …