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Browsing by Author Agnie M. Kosmas

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Showing results 1 to 20 of 40  next >
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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 Lesar24-Nov-2015-
Ab initio and RRKM calculations for the decomposition channels of CH3OBr and BrCH2OHD.K. Papayannis,; E. Drougas,; Agnie M. Kosmas24-Nov-2015-
Ab Initio Characterization of (CH3IO3) Isomers and the CH3O2 + IO Reaction PathwaysKosmas, E. Drougas; Agnie M. Kosmas24-Nov-2015-
Ab initio characterization of (INO3) isomersD.K. Papayannis,; Agnie M. Kosmas24-Nov-2015-
The ab initio characterization of the reaction I+NO2D.K. Papayannis,; Agnie M. Kosmas24-Nov-2015-
Ab initio investigation of isomeric and conformeric structures of halogen nitrites, XONO (X"‰="‰Cl, Br, I)D.K. Papayannis,; Agnie M. Kosmas24-Nov-2015-
Ab initio molecular orbital and RRKM calculations of the thermal decomposition of CH2BrO radicalE. Drougas,; Agnie M. Kosmas24-Nov-2015-
Ab initio study of the structure of aniline in the S1 and S2 ππ* statesE. Drougas,; J. Philis,; Agnie M. Kosmas24-Nov-2015-
A classical trajectory study of the O(3P)+I2 reactionAgnie M. Kosmas; R.J. Williams24-Nov-2015-
Computational investigation of isomeric and conformeric structures of methyl iodoperoxideE. Drougas,; Agnie M. Kosmas24-Nov-2015-
Computational studies on the thermal decomposition and isomerization of CHBr2O radicalE. Drougas,; Agnie M. Kosmas24-Nov-2015-
Computational study of the perhalogenated methyl nitrates CX3ONO2, CX x Y3β�’x ONO2 (X, Y =F, Cl)Agnie M. Kosmas; Antonija Lesar24-Nov-2015-
A computational study of the water-catalyzed reaction of chlonitromethane with the OH radicalAgnie M. Kosmas; Demetrios K. Papayannis; Evangelos Tsiaras24-Nov-2015-
The conformational potential energy surface of IOONO and the isomerization and decomposition processesD.K. Papayannis,; Agnie M. Kosmas24-Nov-2015-
Dynamics of the OH + Cl2 -> HOCl +Cl reaction: Ab Initio investigation and QCT calculations of reaction selectivityV.S. Melissas,; E. Drougas,; E.G. Bakalbassis,; Agnie M. Kosmas24-Nov-2015-
Effect of Halogenation on the Mechanism of the Atmospheric Reactions between Methylperoxy Radicals and NO. A computational StudyAgnie M. Kosmas; Zoi Salta; Antonija Lesar24-Nov-2015-
Homopolymers and block copolymers at the interface of two different mediaMarios K. Kosmas,; Agnie M. Kosmas24-Nov-2015-
On the transition to the power law dependence of stiff and flexible macromoleculesMarios K. Kosmas ,; Agnie M. Kosmas24-Nov-2015-
Quantum mechanical analysis of decomposition pathways of chloromethyl hypochloriteF. Anagnostou,; E. Drougas,; Agnie M. Kosmas24-Nov-2015-
Quantum mechanical and kinetic studies of the reaction of methyl radicals with molecular bromineE. Drougas,; D.K. Papayannis,; Agnie M. Kosmas24-Nov-2015-
Showing results 1 to 20 of 40  next >