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Browsing by Author Melissas, V. S.
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Showing results 17 to 32 of 32
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Molecular simulation of structure, thermodynamic and transport properties of polymeric membrane materials for hydrocarbon separation
Economou, I. G.
;
Raptis, V. E.
;
Melissas, V. S.
;
Theodorou, D. N.
;
Petrou, J.
;
Petropoulos, J. H.
24-Nov-2015
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Morate - a Program for Direct Dynamics Calculations of Chemical-Reaction Rates by Semiempirical Molecular-Orbital Theory
Truong, 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 Constants
Hu, 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 parameters
Tzima, T. D.
;
Sioros, G.
;
Duboc, C.
;
Kovala-Demertzi, D.
;
Melissas, V. S.
;
Sanakis, Y.
24-Nov-2015
-
NO-dependent tyrosine nitration mechanism investigation
Sanakis, Y.
;
Melissas, V. S.
24-Nov-2015
-
Optimized Calculations of Reaction Paths and Reaction-Path Functions for Chemical-Reactions
Melissas, V. S.
;
Truhlar, D. G.
;
Garrett, B. C.
24-Nov-2015
-
The photo-Fries rearrangement of 9-trimethylsilyl substituted xanthenes
Siskos, 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 Polyatomics
Lu, 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 Polyatomics
Steckler, 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 water
Takis, 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 reaction
Papayannis, D. K.
;
Melissas, V. S.
;
Kosmas, A. M.
24-Nov-2015
-
A quantum mechanical study of IOX (X = Cl, Br, I) isomers
Papayannis, D. K.
;
Melissas, V. S.
;
Kosmas, A. M.
24-Nov-2015
-
Resonance-enhanced multiphoton ionization of jet-cooled 2-methylfuran
Philis, J. G.
;
Melissas, V. S.
24-Nov-2015
-
Structural and relative stability studies of IOOX peroxides (X = Cl, Br, I) and their isomers
Melissas, V. S.
;
Papayannis, D. K.
;
Kosmas, A. M.
24-Nov-2015
-
Theoretical kinetic study of the CH3Br+OHatmospheric system
Tzima, 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 nanoclay
Gournis, 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
-