Vibrational predissociation of van der Waals complexes: Quasi-classical results with Gaussian-weighted trajectories (original) (raw)

Theoretical approaches to study the vibrational predissociation of van der Waals molecules

Octavio Roncero

View PDFchevron_right

Double continuum fragmentation in the vibrational predissociation X⋅⋅⋅BC(v)⋅⋅⋅Y→BC(v’<v)+X+Y of van der Waals complexes: A perturbative treatment

Octavio Roncero

Journal of Chemical Physics, 1990

View PDFchevron_right

Double continuum fragmentation in the vibrational predissociation X⋅⋅⋅BC(v)⋅⋅⋅Y→BC(v’<v)+X+Y of van der Waals complexes: A perturbative treatment

Pablo Villarreal

The Journal of Chemical Physics, 1990

View PDFchevron_right

Product vibrational distributions in CH3Br photodissociation

Thierry Leininger

Chemical Physics Letters, 2009

View PDFchevron_right

E. Spectroscopy and Dynamics of Clusters and Nonrigid Molecules: Experiment and Theory. State-Selective Analysis of Ground-State Vibrational Predissociation Product of an Aromatic van der Waals Complex

Samuel Leutwyler

Berichte der Bunsengesellschaft/Physical Chemistry Chemical Physics

View PDFchevron_right

A theoretical study on electronic predissociation in the NeBr2 van der Waals molecule

Octavio Roncero

Chemical Physics, 2012

View PDFchevron_right

Quantum dynamics studies of the photodissociation of molecular systems

Simon Neville

2013

View PDFchevron_right

Predissociation in van der Waals molecules

Alberto Requena

Journal of Molecular Structure: THEOCHEM

View PDFchevron_right

A general approach to the potential energy functions of small polyatomic systems: Molecules and van der Waals molecules

António Varandas

Journal of Molecular Structure: THEOCHEM, 1985

View PDFchevron_right

Moment analysis of dynamics of photodissociation of linear triatomics

Osman Atabek

Chemical Physics Letters, 1977

View PDFchevron_right

Vibrational partition functions for atomâ€``diatom and atomâ€``triatom van der Waals systems

Frederico Prudente

Physical Chemistry Chemical Physics, 2001

View PDFchevron_right

Vibrational predissociation of the Ar⋅⋅⋅Cl2 van der Waals complex: The small molecule limit for intramolecular vibrational redistribution

Santiago Velez Serna

The Journal of Chemical Physics, 1992

View PDFchevron_right

Communications: A model study on the electronic predissociation of the NeBr[sub 2] van der Waals complex

Octavio Roncero

The Journal of Chemical Physics, 2010

View PDFchevron_right

Effect of quasiresonant dynamics on the predissociation of van der Waals molecules

Robert Forrey

Physical Review A, 2001

View PDFchevron_right

Photodissociation of LiFH and NaFH van der Waals complexes: A semiclassical trajectory study

Donald Truhlar

The Journal of Chemical Physics, 2001

View PDFchevron_right

Vibrational predissociation dynamics in the vibronic states of the aniline–neon van der Waals complex: New features revealed by complementary spectroscopic approaches

Giangaetano Pietraperzia

The Journal of Chemical Physics, 1999

View PDFchevron_right

Quasi-classical trajectories study of Ne79Br2(B) vibrational predissociation

J. Rubayo-soneira

Physical Chemistry Chemical Physics, 2006

View PDFchevron_right

Molecular vibrational state distributions in collisions

Yngve Ohrn, Erik Deumens

Chemical Physics Letters, 1995

View PDFchevron_right

Quantum mechanical calculations of vibrational transition probabilities in collinear atom-polyatom collisions

Sakir Erkoc

Chemical Physics Letters, 1981

View PDFchevron_right

Effects of the Vibrational and Rotational Energy on Reaction Cross-Section in a Classical Trajectory Study of Atom-Diatomic Molecule Collisions

Sawsan Jaafreh

Zeitschrift für Naturforschung-A, 2008

View PDFchevron_right

Classical photodissociation dynamics with Bohr quantization: Application to the fragmentation of a van der Waals cluster

J. Rubayo-soneira

Chemical Physics, 2012

View PDFchevron_right

Evaluation of vibrational partition functions for polyatomic systems: quantum versus classical methods for H2O and Ar···CN

Antonio Varandas, Frederico Prudente

Physical Chemistry Chemical Physics, 2000

View PDFchevron_right

Vibrational predissociation of the van der Waals molecule (N2O)2

Anthony McCaffery

Chemical Physics, 1980

View PDFchevron_right

Product vibrational distributions in polyatomic species based on quasiclassical trajectory calculations

Jose Carlos Corchado

Physical Chemistry Chemical Physics, 2009

View PDFchevron_right

Simulation of photoelectron and electronic spectra of small molecules

John Dyke

Journal of Electron …, 2000

View PDFchevron_right

Vibrational predissociation dynamics of the aniline–neon Van der Waals complex: an ab initio study

M. Becucci

Chemical Physics, 2004

View PDFchevron_right

Accurate vibrational energy spectra and dissociation energies of some diatomic electronic states

Wang Yujie

Frontiers of Physics in China, 2008

View PDFchevron_right

Hybrid quantum/classical simulation and kinetic study of the vibrational predissociation of Cl 2 flNe n Ñn52, 3Ö

Alberto Requena

Chem Phys, 1999

View PDFchevron_right

The dynamics of Br(2Pj) formation in the photodissociation of vinyl and perfluorovinyl bromides

Dababrata Paul

The Journal of Chemical Physics, 2005

View PDFchevron_right

Time evolution of reactants, intermediates, and products in the vibrational predissociation of Br 2 flNe: A theoretical study

Alberto Requena

Chem Phys, 2000

View PDFchevron_right

Product energy distributions from ethylene photodissociation at 193 nm: a DFT direct classical trajectory study

Saulo Vázquez

Chemical Physics Letters, 2003

View PDFchevron_right