๐”– Bobbio Scriptorium
โœฆ   LIBER   โœฆ

Isomerization dynamics in solution in the absence of an activation barrier: Evaluation of the potential parameters

โœ Scribed by Biman Bagchi

Publisher
Elsevier Science
Year
1985
Tongue
English
Weight
253 KB
Volume
115
Category
Article
ISSN
0009-2614

No coin nor oath required. For personal study only.

๐Ÿ“œ SIMILAR VOLUMES

Photochemical isomerization in the absen
Photochemical isomerization in the absence of a potential barrier: origin of wavelength-dependent ground-state recovery kinetics
โœ Ulf ร…berg; Villy Sundstrรถm ๐Ÿ“‚ Article ๐Ÿ“… 1991 ๐Ÿ› Elsevier Science ๐ŸŒ English โš– 590 KB

The photophysics and isomerization dynamics in the excited state of the molecule I,1 '-diethyl-4,4'-cyanine have been investigated. Earlier studies have indicated that the lsomerization reaction of this molecule is ofthe barrierless type. As such, it displays some interesting properties of the excit

The dynamics of barrier crossings in sol
The dynamics of barrier crossings in solution: The effect of a solvent polarity-dependent barrier
โœ Janice Hicks; Mark Vandersall; Zoran Babarogic; Kenneth B. Eisenthal ๐Ÿ“‚ Article ๐Ÿ“… 1985 ๐Ÿ› Elsevier Science ๐ŸŒ English โš– 650 KB

## Expenmcnts on the role of the solvent m the dynamtcs of photolsomenzalton rnvolvrng lnrgc dtpolc moment chnnges are dtscussed Vanatton of the phototsomenzatton dynnmtcs of dtmethylamtnobenzonttnle tn a sencs of solvents IS attnbutcd chletly !o polanty-Induced barrier height changes rather than

Dynamics of liquid agitation in the abse
Dynamics of liquid agitation in the absence of an air-liquid interface
โœ David S. Laity; Robert E. Treybal ๐Ÿ“‚ Article ๐Ÿ“… 1957 ๐Ÿ› American Institute of Chemical Engineers ๐ŸŒ English โš– 605 KB

## Abstract The dynamics of agitating singleโ€ and twoโ€phase liquid mixtures in the absence of an airโ€liquid interface was compared with that of similar systems with an interface. Two geometrically similar cylindrical vessels, 12 and 18 in. in diameter respectively, were used, each fitted with a sim

Hybrid molecular dynamics-quantum mechan
Hybrid molecular dynamics-quantum mechanics simulations of solute spectral properties in the condensed phase: Evaluation of simulation parameters
โœ Matthew C. Zwier; Justin M. Shorb; Brent P. Krueger ๐Ÿ“‚ Article ๐Ÿ“… 2007 ๐Ÿ› John Wiley and Sons ๐ŸŒ English โš– 369 KB

## Abstract We have explored the impact of a number of basic simulation parameters on the results of a recently developed hybrid molecular dynamicsโ€quantum mechanics (MDโ€QM) method (Mercer et al., J Phys Chem B 1999, 103, 7720). The method utilizes MD simulations to explore the groundโ€state configu