Ab Initio Study on One-Way Photoisomerization of the Maleic Acid and Fumaric Acid Anion Radical System as a Model System of Their Esters

2006 ◽  
Vol 110 (44) ◽  
pp. 12276-12281 ◽  
Author(s):  
Masato Sumita ◽  
Kazuya Saito
Keyword(s):  
Ab Initio ◽  
Fumaric Acid ◽  
Maleic Acid ◽  
Anion Radical ◽  
Model System ◽  
Ab Initio Study ◽  
Acid Anion

Ab Initio Study on the Structure and Splitting of the Uracil Dimer Anion Radical

1997 ◽  
Vol 101 (44) ◽  
pp. 8335-8338 ◽  
Author(s):  
Alexander A. Voityuk ◽  
Notker Rösch
Keyword(s):  
Ab Initio ◽  
Anion Radical ◽  
Ab Initio Study

The reactions of [F----HOMe] and [MeCO2----HF] negative ions with acetaldehyde and acetone. An Ion Cyclotron Resonance and ab initio Study

1983 ◽  
Vol 36 (2) ◽  
pp. 289 ◽  
Author(s):  
JC Sheldon ◽  
JH Bowie
Keyword(s):  
Ab Initio Calculations ◽  
Ab Initio ◽  
Cyclotron Resonance ◽  
Methyl Formate ◽  
Negative Ions ◽  
Model System ◽  
Ion Cyclotron Resonance ◽  
Ab Initio Study ◽  
Mechanistic Pathway ◽  
System F

The ion [F-- - -HOMe] may be produced by the reaction of CF3O- with methyl formate, a reaction of a type widely used for the production of 'solvated' negative ions. The possible reaction mechanism for the model system F-/HCO2H has been explored by ab initio calculations. The reactions of acetaldehyde and acetone with [F-- - -HOMe] yield stable [M + F-] ions which are thought to correspond to 'solvated' enolate negative ions. Their formation in terms of a mechanistic pathway, recently proposed to account for the formation of [M + RO-] ions from [RO-- - -HOR]/ > CH-CO- systems, is supported by ab initio calculations.

An ab initio study of Se-reacted GaAs(0 0 1) surfaces

1998 ◽  
Vol 184-185 (1-2) ◽  
pp. 80-84 ◽  
Author(s):  
W Faschinger
Keyword(s):  
Ab Initio ◽  
Ab Initio Study

The Effects of Sodium Citrate and an Excess of Plasminogen on Fibrinolytic Agents

1960 ◽  
Vol 04 (03) ◽  
pp. 462-472 ◽  
Author(s):  
Tage Astrup ◽  
Ida Sterndorff
Keyword(s):  
Fumaric Acid ◽  
Maleic Acid ◽  
Fibrinolytic Activity ◽  
Sodium Citrate ◽  
Plasminogen Activators ◽  
Fibrinolytic Agents ◽  
Enhancing Effect ◽  
Polycarboxylic Acids

Summary1. The presence of citrate in the normal fibrin enhanced the fibrinolytic activity of plasminogen activators, including trypsin. The effect of proteases (on normal or on heated fibrin, containing citrate) was not significantly influenced.2. The effect of plasminogen activators was also increased when excess of plasminogen was present in the normal fibrin plates.3. Fumaric acid and maleic acid belong to the polycarboxylic acids producing an enhancing effect.

Carrier Transport in 2-D Materials: an Ab Initio Study

2019 ◽  
Author(s):  
Mathieu Luisier ◽  
Aron Szabo ◽  
Cedric Klinkert ◽  
Christian Stieger ◽  
Martin Rau ◽  
...  
Keyword(s):  
Ab Initio ◽  
Carrier Transport ◽  
Ab Initio Study
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