Dynamical Bifurcation in Gas-Phase XH−+ CH3Y SN2 Reactions: The Role of Energy Flow and Redistribution in Avoiding the Minimum Energy Path

2016 ◽  
Vol 22 (45) ◽  
pp. 16220-16229 ◽  
Author(s):  
Yaicel G. Proenza ◽  
Miguel A. F. de Souza ◽  
Ricardo L. Longo
Keyword(s):  
Gas Phase ◽  
Energy Flow ◽  
Minimum Energy ◽  
Minimum Energy Path ◽  
Sn2 Reactions

On the Role of Hydrogen Bonding in Gas-Phase SN2 Reactions at Silicon

2021 ◽  
Author(s):  
Malte Fugel ◽  
Anneke Dittmer ◽  
Florian Kleemiss ◽  
Simon Grabowsky
Keyword(s):  
Hydrogen Bonding ◽  
Gas Phase ◽  
Sn2 Reactions

scholarly journals The role of radiolysis in the modelling of C2H4O2 isomers and dimethyl ether in cold dark clouds

2020 ◽  
Vol 500 (3) ◽  
pp. 3414-3424
Author(s):  
Alec Paulive ◽  
Christopher N Shingledecker ◽  
Eric Herbst
Keyword(s):  
Gas Phase ◽  
Dimethyl Ether ◽  
Recent Observation ◽  
Cosmic Ray ◽  
Thermal Method ◽  
Dark Clouds ◽  
Ice Surface ◽  
Dust Grain ◽  
Complex Organic

ABSTRACT Complex organic molecules (COMs) have been detected in a variety of interstellar sources. The abundances of these COMs in warming sources can be explained by syntheses linked to increasing temperatures and densities, allowing quasi-thermal chemical reactions to occur rapidly enough to produce observable amounts of COMs, both in the gas phase, and upon dust grain ice mantles. The COMs produced on grains then become gaseous as the temperature increases sufficiently to allow their thermal desorption. The recent observation of gaseous COMs in cold sources has not been fully explained by these gas-phase and dust grain production routes. Radiolysis chemistry is a possible non-thermal method of producing COMs in cold dark clouds. This new method greatly increases the modelled abundance of selected COMs upon the ice surface and within the ice mantle due to excitation and ionization events from cosmic ray bombardment. We examine the effect of radiolysis on three C2H4O2 isomers – methyl formate (HCOOCH3), glycolaldehyde (HCOCH2OH), and acetic acid (CH3COOH) – and a chemically similar molecule, dimethyl ether (CH3OCH3), in cold dark clouds. We then compare our modelled gaseous abundances with observed abundances in TMC-1, L1689B, and B1-b.

Role of solid- and gas-phase interactions in the coaction of the oxides in MnO2 + PbO and MnO2 + V2O5 compositions activating the thermal oxidation of GaAs

2007 ◽  
Vol 52 (10) ◽  
pp. 1498-1502 ◽  
Author(s):  
V. F. Kostryukov ◽  
V. R. Pshestanchik ◽  
I. A. Donkareva ◽  
B. L. Agapov ◽  
S. I. Lopatin ◽  
...  
Keyword(s):  
Thermal Oxidation ◽  
Gas Phase

scholarly journals Minimum-Energy Path for a U6 RNA Conformational Change Involving Protonation, Base-Pair Rearrangement and Base Flipping

2009 ◽  
Vol 391 (5) ◽  
pp. 894-905 ◽  
Author(s):  
Vincenzo Venditti ◽  
Lawrence Clos ◽  
Neri Niccolai ◽  
Samuel E. Butcher
Keyword(s):  
Conformational Change ◽  
Base Pair ◽  
Minimum Energy ◽  
Minimum Energy Path ◽  
Base Flipping ◽  
U6 Rna
Sign in / Sign up

Export Citation Format

Share Document