1. Repository of OAI
Ελληνικά   English  

Browsing by Author Melissas, V. S.

Jump to: 0-9 A B C D E F G H I J K L M N O P Q R S T U V W X Y Z
Jump to: Α Β Γ Δ Ε Ζ Η Θ Ι Κ Λ Μ Ν Ξ Ο Π Ρ Σ Τ Υ Φ Χ Ψ Ω
or enter first few letters:  
View Option
Showing results 5 to 24 of 32 < previous   next >
TitleAuthor(s)Issue date???itemlist.???
Deuterium and C-13 Kinetic Isotope Effects for the Reaction of Oh with Ch4Melissas, V. S.; Truhlar, D. G.24-Nov-2015-
A DFT study of the nitric oxide and tyrosyl radical interaction: A proposed radical mechanismPapavasileiou, K. D.; Tzima, T. D.; Sanakis, Y.; Melissas, V. S.24-Nov-2015-
Direct Dynamics Calculations with Nddo Molecular-Orbital TheoryLynch, G. C.; Liu, Y. P.; Hu, W. P.; Lu, D. H.; Melissas, V. S.; Gonzalezlafont, A.; Truong, T. N.; Truhlar, D. G.; Garrett, B. C.; Steckler, R.24-Nov-2015-
Dynamics of the OH+Cl-2 -> HOCl+Cl reaction: Ab initio investigation and quasiclassical trajectory calculations of reaction selectivityMelissas, V. S.; Drougas, E.; Bakalbassis, E. G.; Kosmas, A. M.24-Nov-2015-
Electronic and magnetic properties of the binuclear [Mn-2{(OPPh2)(2)N}(4)] complex, as revealed by magnetometry, EPR and density functional broken-symmetry studiesTzima, T. D.; Ferentinos, E.; Maganas, D.; Melissas, V. S.; Sanakis, Y.; Kyritsis, P.24-Nov-2015-
An experimental and theoretical study of the S(1)<- S(0) transition of p-ethynyltoluenePhilis, J. G.; Melissas, V. S.24-Nov-2015-
An extremely stable Ni(II) complex derived from the hydrolytic cleavage of the C-terminal tail of histone H2AMylonas, M.; Plakatouras, J. C.; Hadjiliadis, N.; Papavasilelou, K. D.; Melissas, V. S.24-Nov-2015-
Force field development for poly(dimethylsilylenemethylene) with the aid of ab initio calculationsRaptis, V. E.; Melissas, V. S.24-Nov-2015-
A "hidden" role of amino and imino groups is unveiled during the micro-solvation study of three biomolecule groups in waterTakis, P. G.; Melissas, V. S.; Troganis, A. N.24-Nov-2015-
Improved Methods for Reaction-Path Calculations in Chemical-DynamicsMelissas, V. S.; Truhlar, D. G.; Garrett, B. C.24-Nov-2015-
Interpolated Variational Transition-State Theory and Semiclassical Tunneling Calculations of the Rate-Constant of the Reaction Oh+C2h6 at 200-3000 KMelissas, V. S.; Truhlar, D. G.24-Nov-2015-
Interpolated Variational Transition-State Theory and Tunneling Calculations of the Rate-Constant of the Reaction Oh+Ch4 at 223-2400 KMelissas, V. S.; Truhlar, D. G.24-Nov-2015-
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-
Showing results 5 to 24 of 32 < previous   next >