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Browsing by Author Melissas, V. S.

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Showing results 17 to 32 of 32 < previous 
TitleAuthor(s)Issue date???itemlist.???
Molecular simulation of structure, thermodynamic and transport properties of polymeric membrane materials for hydrocarbon separationEconomou, I. G.; Raptis, V. E.; Melissas, V. S.; Theodorou, D. N.; Petrou, J.; Petropoulos, J. H.24-Nov-2015-
Morate - a Program for Direct Dynamics Calculations of Chemical-Reaction Rates by Semiempirical Molecular-Orbital TheoryTruong, T. N.; Lu, D. H.; Lynch, G. C.; Liu, Y. P.; Melissas, V. S.; Stewart, J. J. P.; Steckler, R.; Garrett, B. C.; Isaacson, A. D.; Gonzalezlafont, A.; Rai, S. N.; Hancock, G. C.; Joseph, T.; Truhlar, D. G.24-Nov-2015-
Morate-6.5 - a New Version of a Computer-Program for Direct Dynamics Calculations of Chemical-Reaction Rate ConstantsHu, W. P.; Lynch, G. C.; Liu, Y. P.; Rossi, I.; Stewart, J. J. P.; Steckler, R.; Garrett, B. C.; Isaacson, A. D.; Lu, D. H.; Melissas, V. S.; Truhlar, D. G.24-Nov-2015-
Multifrequency electron paramagnetic resonance and theoretical studies of a Mn(II) (S=5/2) complex: The role of geometrical elements on the Zero Field Splitting parametersTzima, T. D.; Sioros, G.; Duboc, C.; Kovala-Demertzi, D.; Melissas, V. S.; Sanakis, Y.24-Nov-2015-
NO-dependent tyrosine nitration mechanism investigationSanakis, Y.; Melissas, V. S.24-Nov-2015-
Optimized Calculations of Reaction Paths and Reaction-Path Functions for Chemical-ReactionsMelissas, V. S.; Truhlar, D. G.; Garrett, B. C.24-Nov-2015-
The photo-Fries rearrangement of 9-trimethylsilyl substituted xanthenesSiskos, M. G.; Zarkadis, A. K.; Gritzapis, P. S.; Brede, O.; Hermann, R.; Melissas, V. S.; Gurzadyan, G. G.; Triantafyllou, A. S.; Georgakilas, V.24-Nov-2015-
Polyrate-4 - a New Version of a Computer-Program for the Calculation of Chemical-Reaction Rates for PolyatomicsLu, D. H.; Truong, T. N.; Melissas, V. S.; Lynch, G. C.; Liu, Y. P.; Garrett, B. C.; Steckler, R.; Isaacson, A. D.; Rai, S. N.; Hancock, G. C.; Lauderdale, J. G.; Joseph, T.; Truhlar, D. G.24-Nov-2015-
Polyrate-6.5 - a New Version of a Computer-Program for the Calculation of Chemical-Reaction Rates for PolyatomicsSteckler, R.; Hu, W. P.; Liu, Y. P.; Lynch, G. C.; Garrett, B. C.; Isaacson, A. D.; Melissas, V. S.; Lu, D. H.; Truong, T. N.; Sachchida, N. R.; Hancock, G. C.; Lauderdale, J. G.; Joseph, T.; Truhlar, D. G.24-Nov-2015-
Probing micro-solvation in "numbers": the case of neutral dipeptides in waterTakis, P. G.; Papavasileiou, K. D.; Peristeras, L. D.; Melissas, V. S.; Troganis, A. N.24-Nov-2015-
Quantum mechanical studies of methyl bromoperoxide isomers and the CH3O+BrO reactionPapayannis, D. K.; Melissas, V. S.; Kosmas, A. M.24-Nov-2015-
A quantum mechanical study of IOX (X = Cl, Br, I) isomersPapayannis, D. K.; Melissas, V. S.; Kosmas, A. M.24-Nov-2015-
Resonance-enhanced multiphoton ionization of jet-cooled 2-methylfuranPhilis, J. G.; Melissas, V. S.24-Nov-2015-
Structural and relative stability studies of IOOX peroxides (X = Cl, Br, I) and their isomersMelissas, V. S.; Papayannis, D. K.; Kosmas, A. M.24-Nov-2015-
Theoretical kinetic study of the CH3Br+OHatmospheric systemTzima, T. D.; Papavasileiou, K. D.; Papayannis, D. K.; Melissas, V. S.24-Nov-2015-
A two-dimensional magnetic hybrid material based on intercalation of a cationic Prussian blue analog in montmorillonite nanoclayGournis, D.; Papachristodoulou, C.; Maccallini, E.; Rudolf, P.; Karakassides, M. A.; Karamanis, D. T.; Sage, M. H.; Palstra, T. T. M.; Colomer, J. F.; Papavasileiou, K. D.; Melissas, V. S.; Gangas, N. H.24-Nov-2015-
Showing results 17 to 32 of 32 < previous