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Repository of UOI "Olympias"
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Browsing by Author Agnie M. Kosmas
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Showing results 1 to 20 of 40
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Ab initio and DFT investigation of the structural and thermochemical properties of the peroxy radicals CH3S(O)nOO and the peroxynitrate compounds CH3S(O)nOONO2 (n=0, 1, 2)
Zoi Salta,
;
Agnie M. Kosmas
;
Antonija Lesar
24-Nov-2015
-
Ab initio and RRKM calculations for the decomposition channels of CH3OBr and BrCH2OH
D.K. Papayannis,
;
E. Drougas,
;
Agnie M. Kosmas
24-Nov-2015
-
Ab Initio Characterization of (CH3IO3) Isomers and the CH3O2 + IO Reaction Pathways
Kosmas, E. Drougas
;
Agnie M. Kosmas
24-Nov-2015
-
Ab initio characterization of (INO3) isomers
D.K. Papayannis,
;
Agnie M. Kosmas
24-Nov-2015
-
The ab initio characterization of the reaction I+NO2
D.K. Papayannis,
;
Agnie M. Kosmas
24-Nov-2015
-
Ab initio investigation of isomeric and conformeric structures of halogen nitrites, XONO (X"‰="‰Cl, Br, I)
D.K. Papayannis,
;
Agnie M. Kosmas
24-Nov-2015
-
Ab initio molecular orbital and RRKM calculations of the thermal decomposition of CH2BrO radical
E. Drougas,
;
Agnie M. Kosmas
24-Nov-2015
-
Ab initio study of the structure of aniline in the S1 and S2 ππ* states
E. Drougas,
;
J. Philis,
;
Agnie M. Kosmas
24-Nov-2015
-
A classical trajectory study of the O(3P)+I2 reaction
Agnie M. Kosmas
;
R.J. Williams
24-Nov-2015
-
Computational investigation of isomeric and conformeric structures of methyl iodoperoxide
E. Drougas,
;
Agnie M. Kosmas
24-Nov-2015
-
Computational studies on the thermal decomposition and isomerization of CHBr2O radical
E. Drougas,
;
Agnie M. Kosmas
24-Nov-2015
-
Computational study of the perhalogenated methyl nitrates CX3ONO2, CX x Y3β�’x ONO2 (X, Y =F, Cl)
Agnie M. Kosmas
;
Antonija Lesar
24-Nov-2015
-
A computational study of the water-catalyzed reaction of chlonitromethane with the OH radical
Agnie M. Kosmas
;
Demetrios K. Papayannis
;
Evangelos Tsiaras
24-Nov-2015
-
The conformational potential energy surface of IOONO and the isomerization and decomposition processes
D.K. Papayannis,
;
Agnie M. Kosmas
24-Nov-2015
-
Dynamics of the OH + Cl2 -> HOCl +Cl reaction: Ab Initio investigation and QCT calculations of reaction selectivity
V.S. Melissas,
;
E. Drougas,
;
E.G. Bakalbassis,
;
Agnie M. Kosmas
24-Nov-2015
-
Effect of Halogenation on the Mechanism of the Atmospheric Reactions between Methylperoxy Radicals and NO. A computational Study
Agnie M. Kosmas
;
Zoi Salta
;
Antonija Lesar
24-Nov-2015
-
Homopolymers and block copolymers at the interface of two different media
Marios K. Kosmas,
;
Agnie M. Kosmas
24-Nov-2015
-
On the transition to the power law dependence of stiff and flexible macromolecules
Marios K. Kosmas ,
;
Agnie M. Kosmas
24-Nov-2015
-
Quantum mechanical analysis of decomposition pathways of chloromethyl hypochlorite
F. Anagnostou,
;
E. Drougas,
;
Agnie M. Kosmas
24-Nov-2015
-
Quantum mechanical and kinetic studies of the reaction of methyl radicals with molecular bromine
E. Drougas,
;
D.K. Papayannis,
;
Agnie M. Kosmas
24-Nov-2015
-