[PS][PS] Quantum molecular dynamics of ultrafast processes in large polyatomic systems

P Jungwirth, RB Gerber - Chemical reviews, 1999 - jungwirth.uochb.cas.cz
In the last few years, there has been a great surge in the interest and activity in the quantum
mechanical description of dynamical processes in large molecular systems. Till very …

Femtosecond real‐time probing of reactions. XXI. Direct observation of transition‐state dynamics and structure in charge‐transfer reactions

PY Cheng, D Zhong, AH Zewail - The Journal of chemical physics, 1996 - pubs.aip.org
This paper in the series gives our full account of the preliminary results reported in a
communication [Cheng, Zhong, and Zewail, J. Chem. Phys. 103, 5153 (1995)] on real‐time …

Subpicosecond resolution studies of the H+CO2→CO+OH reaction photoinitiated in CO2–HI complexes

SI Ionov, GA Brucker, C Jaques, L Valachovic… - The Journal of chemical …, 1993 - pubs.aip.org
Time resolved studies of the title reaction have been carried out by photodissociating the HI
moiety within weakly bound CO2–HI complexes. The HOCO° intermediate decomposes via …

Photodissociation of hydrogen halide molecules in different cluster environments

U Buck - The Journal of Physical Chemistry A, 2002 - ACS Publications
The photodissociation of molecules and the interaction of the products with the surrounding
cage atoms is an important field of research in solvation dynamics. The targeted generation …

Photodissociation of methanol at 193.3 nm: Translational energy release spectra

Y Wen, J Segall, M Dulligan, C Wittig - The Journal of chemical physics, 1994 - pubs.aip.org
Center-of-mass translational energy distributions of the dominant primary products resulting
from 193.3 nm excitation of jet-cooled CH30H, CH30D, and CD30H were obtained by using …

Quantum dynamics of large polyatomic systems using a classically based separable potential method

P Jungwirth, RB Gerber - The Journal of chemical physics, 1995 - pubs.aip.org
A new method for approximate solution of the time-dependent vibrational Schrödinger
equation, applicable to extended molecular systems, is presented. The new method is …

Photodissociation of HBr molecules and clusters: Anisotropy parameters, branching ratios, and kinetic energy distributions

R Baumfalk, U Buck, C Frischkorn, NH Nahler… - The Journal of …, 1999 - pubs.aip.org
The ultraviolet photolysis of HBr molecules and (HBr) n clusters with average size around
n̄= 9 is studied at three different wavelengths of 243, 205, and 193 nm. Applying polarized …

Photodissociation of HBr adsorbed on the surface and embedded in large Arn clusters

R Baumfalk, NH Nahler, U Buck, MY Niv… - The Journal of …, 2000 - pubs.aip.org
The study of photochemical reactions in clusters has attracted much interest in recent years.
Aside from the intrinsic interest in such processes, they are considered to provide …

Photodissociation Dynamics of the Charge-Transfer State of the C6H6−I2 Complex

G DeBoer, JW Burnett, A Fujimoto… - The Journal of Physical …, 1996 - ACS Publications
A pulsed-extraction time-of-flight method was employed to investigate the photodissociation
dynamics of the C6H6− I2 charge-transfer state. Measurement of the kinetic energy release …

The structure and ground state dynamics of Ar–IH

A McIntosh, Z Wang, J Castillo-Chará… - The Journal of …, 1999 - pubs.aip.org
Investigations of the van der Waals complexes Rg–HX (XF, Cl) 1, 2 using high-resolution
gas phase spectroscopy have been particularly fruitful. Indeed, these species have become …