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1

Ab initio molecular orbital and RRKM calculations of the thermal decomposition of CH2BrO radical

Evangelos Drougas, Agnie M Kosmas

Journal:

Chemical Physics

Year:

2004

Language:

english

File:

PDF, 210 KB

english, 2004

2

Computational Studies of (HlO3) Isomers and the HO2 + IO Reaction Pathways

Evangelos Drougas, Agnie M. Kosmas

Journal:

Year:

2005

File:

PDF, 8 KB

2005

3

The (Lb)S1 ← S0 transition of phenylpropyne and phenylacetylene: an experimental and ab initio study

John G. Philis, Evangelos Drougas, Agnie M. Kosmas

Journal:

Chemical Physics

Year:

2004

Language:

english

File:

PDF, 414 KB

english, 2004

4

Computational studies on the thermal decomposition and isomerization of CHBr2O radical

Evangelos Drougas, Agnie M. Kosmas

Journal:

Chemical Physics

Year:

2005

Language:

english

File:

PDF, 393 KB

english, 2005

5

Hydrolysis by phospholipase D of phospholipids in solution state or adsorbed on a silica matrix

Despoina Pantazi, Evangelos Drougas, Benoit Loppinet, Constantinos Tellis, Agnie M. Kosmas, Marilena E. Lekka

Journal:

Chemistry and Physics of Lipids

Year:

2006

Language:

english

File:

PDF, 326 KB

english, 2006

6

Theoretical study of the thermal decomposition and isomerization of α-bromoethoxy radicals

Evangelos Drougas, Agnie M. Kosmas

Journal:

Chemical Physics Letters

Year:

2003

Language:

english

File:

PDF, 222 KB

english, 2003

7

Quantum mechanical investigation of the reaction CHClBr + O(3P)

Evangelos Drougas, Agnie M. Kosmas

Journal:

Chemical Physics Letters

Year:

2006

Language:

english

File:

PDF, 205 KB

english, 2006

8

Quantum mechanical studies of CH3OF decomposition pathways

Evangelos Drougas, Agnie M Kosmas, Sigrid D Peyerimhoff

Journal:

Journal of Molecular Structure: THEOCHEM

Year:

2004

Language:

english

File:

PDF, 105 KB

english, 2004

9

Quantum mechanical analysis of decomposition pathways of chloromethyl hypochlorite

Filothei Anagnostou, Evangelos Drougas, Agnie M. Kosmas

Journal:

Journal of Molecular Structure: THEOCHEM

Year:

2005

Language:

english

File:

PDF, 370 KB

english, 2005

10

Ab initio study of the structure of aniline in the S1 and S2 ππ* states

Evangelos Drougas, John G. Philis, Agnie M. Kosmas

Journal:

Journal of Molecular Structure: THEOCHEM

Year:

2006

Language:

english

File:

PDF, 116 KB

english, 2006

11

Quantum mechanical and kinetic studies of the reaction of methyl radicals with molecular bromine

Evangelos Drougas, Demetrios K. Papayannis, Agnie M. Kosmas

Journal:

Journal of Molecular Structure: THEOCHEM

Year:

2003

Language:

english

File:

PDF, 254 KB

english, 2003

12

Ab initio and RRKM calculations for the decomposition channels of CH3OBr and BrCH2OH

Demetrios K. Papayannis, Evangelos Drougas, Agnie M. Kosmas

Journal:

Chemical Physics

Year:

2002

Language:

english

File:

PDF, 228 KB

english, 2002

13

Quantum mechanical studies of isomeric and conformeric structures of methyl-chloro-peroxide

Evangelos Drougas, Agnie M. Kosmas

Journal:

International Journal of Quantum Chemistry

Year:

2004

Language:

english

File:

PDF, 97 KB

english, 2004

14

A computational investigation of the atmospheric reaction CH3O2 + ClO

Agnie M. Kosmas, Evangelos Drougas

Journal:

Chemical Physics

Year:

2009

Language:

english

File:

PDF, 226 KB

english, 2009

15

Structural and heat of formation studies of halogenated methyl hydro-peroxides

Agnie M. Kosmas, Christos Mpellos, Zoi Salta, Evangelos Drougas

Journal:

Chemical Physics

Year:

2010

Language:

english

File:

PDF, 365 KB

english, 2010

16

Quantum Mechanical and Rice−Ramsperger−Kassel−Marcus Investigation of the Thermal Unimolecular Decomposition of CF2BrO and CF2ClO Radicals

Drougas, Evangelos, Kosmas, Agnie M., Jalbout, Abraham F.

Journal:

Journal of Physical Chemistry A

Year:

2004

Language:

english

File:

PDF, 268 KB

english, 2004

17

The quantum mechanical description of normal valent and multivalent iodine in the polyoxides of the type IOnX, X=H, CH3, n = 1, 2, 3

Agnie M. Kosmas, Evangelos Drougas

Journal:

Computational Materials Science

Year:

2007

Language:

english

File:

PDF, 111 KB

english, 2007

18

Quantum Mechanical Studies of CH 3 ClO 3 Isomers and the CH 3 O 2 +ClO Reaction Pathways

Drougas, Evangelos, Jalbout, Abraham F., Kosmas, Agnie M.

Journal:

Journal of Physical Chemistry A

Year:

2003

Language:

english

File:

PDF, 86 KB

english, 2003

19

Synthesis, Structural Characterization, and Computational Studies of Novel Diiodine Adducts with the Heterocyclic Thioamides N -Methylbenzothiazole-2-thione and Benzimidazole-2-thione: Implications with the Mechanism of Action of Antithyroid Drugs

Corban, Ghada J., Hadjikakou, Sotiris K., Hadjiliadis, Nick, Kubicki, Maciej, Tiekink, Edward R. T., Butler, Ian S., Drougas, Evangelos, Kosmas, Agnie M.

Journal:

Inorganic Chemistry

Year:

2005

Language:

english

File:

PDF, 198 KB

english, 2005

20

Ab Initio Characterization of (CH 3 IO 3 ) Isomers and the CH 3 O 2 + IO Reaction Pathways

Drougas, Evangelos, Kosmas, Agnie M.

Journal:

Journal of Physical Chemistry A

Year:

2007

Language:

english

File:

PDF, 209 KB

english, 2007

21

Quantum Mechanical Investigation of the Atmospheric Reaction CH 3 O 2 + NO

Lesar, Antonija, Hodošček, Milan, Drougas, Evangelos, Kosmas, Agnie M.

Journal:

Journal of Physical Chemistry A

Year:

2006

Language:

english

File:

PDF, 237 KB

english, 2006

22

Computational Studies of (HIO 3 ) Isomers and the HO 2 + IO Reaction Pathways

Drougas, Evangelos, Kosmas, Agnie M.

Journal:

Journal of Physical Chemistry A

Year:

2005

Language:

english

File:

PDF, 139 KB

english, 2005

23

Quantum Mechanical and Kinetic Studies of the Reaction of Methyl Radicals with Chlorine Molecules

Drougas, Evangelos, Papayannis, Demetrios K., Kosmas, Agnie M.

Journal:

Journal of Physical Chemistry A

Year:

2002

Language:

english

File:

PDF, 126 KB

english, 2002

24

Dynamics of the OH + Cl 2 → HOCl + Cl Reaction: Ab Initio Investigation and Quasiclassical Trajectory Calculations of Reaction Selectivity

Melissas, Vasilios S., Drougas, Evangelos, Bakalbassis, Evangelos G., Kosmas, Agnie M.

Journal:

Journal of Physical Chemistry A

Year:

2000

Language:

english

File:

PDF, 118 KB

english, 2000

25

Computational investigation of isomeric and conformeric structures of methyl iodoperoxide

Drougas, Evangelos, Kosmas, Agnie M

Journal:

Canadian Journal of Chemistry

Year:

2005

Language:

english

File:

PDF, 223 KB

english, 2005

26

Quantum mechanical studies of the CH3O2+HO2 reaction

Drougas, Evangelos

Journal:

Computational and Theoretical Chemistry

Year:

2016

Language:

english

File:

PDF, 791 KB

english, 2016

27

Correlation of spleen metabolism assessed by 18F-FDG PET with serum interleukin-2 receptor levels and other biomarkers in patients with untreated sarcoidosis

Kalkanis, Alexandros, Kalkanis, Dimitrios, Drougas, Dimitrios, Vavougios, George D., Datseris, Ioannis, Judson, Marc A., Georgiou, Evangelos

Journal:

Nuclear Medicine Communications

Year:

2015

Language:

english

File:

PDF, 205 KB

english, 2015