Theoretical Investigations of the Reaction Dynamics of Gas-Phase HBr + Acetylene Collisions

1995 ◽  
Vol 99 (50) ◽  
pp. 17691-17699 ◽  
Author(s):  
Meredith E. Ebert ◽  
Samuel A. Abrash ◽  
Lionel M. Raff
Keyword(s):  
Gas Phase ◽  
Reaction Dynamics ◽  
Theoretical Investigations

scholarly journals Unusual hydroxyl migration in the fragmentation of β-alanine dication in the gas phase

2015 ◽  
Vol 17 (26) ◽  
pp. 16767-16778 ◽  
Author(s):  
Dariusz Grzegorz Piekarski ◽  
Rudy Delaunay ◽  
Sylvain Maclot ◽  
Lamri Adoui ◽  
Fernando Martín ◽  
...  
Keyword(s):  
Gas Phase ◽  
Theoretical Investigations ◽  
Fragmentation Dynamics

Experimental and theoretical investigations show that hydroxyl migration leads to unexpected fragmentation dynamics of β-alanine dication in the gas phase.

scholarly journals Investigating the Environment-dependent Photophysics of Chlorine Dioxide With Resonance Raman Intensities

1999 ◽  
Vol 19 (1-4) ◽  
pp. 305-309
Author(s):  
Anthony P. Esposito ◽  
Catherine E. Foster ◽  
Philip J. Reid
Keyword(s):  
Excited State ◽  
Gas Phase ◽  
Chlorine Dioxide ◽  
Resonance Raman ◽  
Structural Evolution ◽  
Reaction Dynamics ◽  
Intensity Analysis ◽  
Normal Coordinates ◽  
Raman Intensities ◽  
Asymmetric Stretch

The condensed-phase excited-state reaction dynamics of chlorine dioxide are investigated using resonance Raman intensity analysis. Absolute Raman intensities are measured on resonance with the 2B2–2A2 electronic transition and used to establish the excited-state structural evolution which occurs on the 2A2 surface following photoexcitation. Analysis of the intensities demonstrates that excited-state relaxation occurs along all three normal coordinates; however, only modest evolution is observed along the asymmetric stretch. This limited relaxation stands in contrast to the extensive motion along this coordinate in the gas phase. It is proposed that the initial excited-state structural relaxation serves to define the symmetry of the reaction coordinate and thus the mechanism of Cl production following photolysis of OClO.

Gas-Phase Activation and Reaction Dynamics of Chiral Ion–Dipole Complexes

2003 ◽  
Vol 9 (21) ◽  
pp. 5274-5282 ◽  
Author(s):  
Antonello Filippi ◽  
Maurizio Speranza
Keyword(s):  
Gas Phase ◽  
Reaction Dynamics

Experimental and theoretical investigations of the self-association of oxaliplatin

2014 ◽  
Vol 16 (28) ◽  
pp. 14688-14698 ◽  
Author(s):  
Predrag V. Petrović ◽  
Stefan Grimme ◽  
Snežana D. Zarić ◽  
Michel Pfeffer ◽  
Jean-Pierre Djukic
Keyword(s):  
Gas Phase ◽  
State Of The Art ◽  
The Self ◽  
Theoretical Investigations ◽  
Self Association ◽  
Self Aggregation

The issue of self-aggregation of oxaliplatin in water as well as in the gas phase is investigated analytically and analyzed by state-of-the-art DFT-D methods.

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