Search

Categories

Organic Chemistry

(1)

Physical Chemistry

(2)

Theoretical and Computational Chemistry

(5)

Content Types

Working Paper

(5)

Published Date

Over 3 years

(5)

Keywords

Authors

Agnie M. Kosmas

5 results in Authors: Agnie M. Kosmas

Theoretical and Computational Chemistry

Computational Evidence Suggests That 1-chloroethanol May Be an Intermediate in the Thermal Decomposition of 2-chloroethanol into Acetaldehyde and HCl

Zoi Salta, Agnie M. Kosmas, Oscar Ventura, Vincenzo Barone

Version 1 posted 21 January 2019

718

Downloads

Theoretical and Computational Chemistry

Kinetics and Thermodynamics of the Hydroxylation Products in the Photodegradation of the Herbicide Metolachlor

Zoi Salta, Agnie M. Kosmas, Oscar Ventura

Version 1 posted 05 December 2018

659

Downloads

Theoretical and Computational Chemistry

A Reinvestigation of the Deceptively Simple Reaction of Toluene with ●OH, and the Fate of the Benzyl Radical. I. a Combined Thermodynamic and Kinetic Study on the Competition Between ●OH Addition and Hydrogen Abstraction Reactions.

Zoi Salta, Agnie M. Kosmas, Marc E. Segovia, Martina Kieninger, Oscar Ventura, Vincenzo Barone

Version 1 posted 17 June 2019

607

Downloads

Physical Chemistry

Enthalpies of formation of the benzyloxyl, benzylperoxyl, hydroxyphenyl radicals and related species on the potential energy surface for the reaction of toluene with the hydroxyl radical

Oscar Ventura, Martina Kieninger, Zoi Salta, Agnie M. Kosmas, Vincenzo Barone

Version 2 posted 05 March 2019

1,343

Downloads

Theoretical and Computational Chemistry

Theoretical Study of the Microhydration of 1-Chloro and 2-Chloro Ethanol as a Clue for Their Relative Propensity Toward Dehalogenation

George Petsis, Zoi Salta, Agnie M. Kosmas, Oscar Ventura

Version 1 posted 26 November 2018

689

Downloads