[图书][B] Unimolecular reaction dynamics: theory and experiments

T Baer, WL Hase - 1996 - books.google.com
This book provides a penetrating and comprehensive description of energy selected
reactions from a theoretical as well as experimental view. Three major aspects of …

Absolute classical densities of states for very anharmonic systems and applications to the evaporation of rare gas clusters

S Weerasinghe, FG Amar - The Journal of chemical physics, 1993 - pubs.aip.org
We have simulated the cluster dissociation reaction Ar n→ Ar n− 1+ Ar (12≤ n≤ 14) using
molecular dynamics (MD) with well defined internal energy and total angular momentum …

Процессы в расширяющемся и конденсирующемся газе

БМ Смирнов - Успехи физических наук, 1994 - ufn.ru
В данном обзоре проанализированы процессы, сопровождающие истечение горячего
газа в вакуум или буферный газ в режиме, когда в расширяющемся газе образуются …

Statistical anharmonic unimolecular rate constants for the dissociation of fluxional molecules: Application to aluminum clusters

GH Peslherbe, WL Hase - The Journal of chemical physics, 1996 - pubs.aip.org
Anharmonic densities of state are determined for the Al n (n= 5, 6, 12, 13) clusters using a
model analytic potential energy function. Relative anharmonic densities of state are …

Processes in expanding and condensing gases

BM Smirnov - Physics-Uspekhi, 1994 - iopscience.iop.org
The evolution of a hot gas or a weakly ionised plasma—formed as a result of evaporation of
the surfaces of a solid under the action of high energy fluxes or flow out of a nozzle—is …

Theoretical and computational studies of non-equilibrium and non-statistical dynamics in the gas phase, in the condensed phase and at interfaces

R Spezia, E Martinez-Nunez… - … Transactions of the …, 2017 - royalsocietypublishing.org
In this Introduction, we show the basic problems of non-statistical and non-equilibrium
phenomena related to the papers collected in this themed issue. Over the past few years …

Gas-phase calorimetry of protonated water clusters

M Schmidt, B Von Issendorff - The Journal of Chemical Physics, 2012 - pubs.aip.org
Protonated water clusters with 60 to 79 molecules have been studied by nanocalorimetry.
The technique is based on multi-collision excitations of the accelerated clusters with helium …

Statistical evaporation of rotating clusters. I. Kinetic energy released

F Calvo, P Parneix - The Journal of chemical physics, 2003 - pubs.aip.org
Unimolecular evaporation in rotating atomic clusters is investigated using phase space
theory (PST) and molecular dynamics simulations. The rotational densities of states are …

A comparison of classical trajectory and statistical unimolecular rate theory calculations of Al3 decomposition

GH Peslherbe, WL Hase - The Journal of chemical physics, 1994 - pubs.aip.org
Classical trajectories are used to simulate the dissociation of microcanonical ensembles of
Al3 clusters with 0.25–2.00 kcal/mol energy in excess of the dissociation threshold …

Evidencing the relationship between isomer spectra and melting: the 20-and 55-atom silver and gold cluster cases

M Rapacioli, F Spiegelman, N Tarrat - Physical Chemistry Chemical …, 2019 - pubs.rsc.org
The present work highlights the links between melting properties and structural excitation
spectra of small gold and silver clusters. The heat capacity curves are computed for Ag20 …