18 results on '"Melissas, Vasilios S."'
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2. Polyrate 2023: A computer program for the calculation of chemical reaction rates for polyatomics. New version announcement
3. How half sandwich ruthenium compounds interact with DNA while not being hydrolyzed; a comparative study
4. Electronic and magnetic properties of the binuclear [Mn2{(OPPh2)2N}4] complex, as revealed by magnetometry, EPR and density functional broken-symmetry studies
5. A two-dimensional magnetic hybrid material based on intercalation of a cationic Prussian blue analog in montmorillonite nanoclay
6. 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
7. The photo-Fries rearrangement of 9-trimethylsilyl substituted xanthenes
8. Theoretical kinetic study of the CH 3Br + OH atmospheric system
9. An ab initio dynamics study of the CH3Cl + OH reaction
10. Molecular simulation of structure, thermodynamic and transport properties of polymeric membrane materials for hydrocarbon separation
11. An extremely stable Ni(II) complex derived from the hydrolytic cleavage of the C-terminal tail of histone H2A
12. Ab initio calculations for (BrO) 2 system and quasiclassical dynamics study of BrO self-reaction
13. A quantum mechanical study of IOX (X = Cl, Br, I) isomers
14. A quantum mechanical study of the structure, vibrational spectra and relative energetics of XOOI, XIO 2 and XOIO (X=Cl, Br, I) isomers
15. MORATE: a program for direct dynamics calculations of chemical reaction rates by semiempirical molecular orbital theory
16. POLYRATE 4: A new version of a computer program for the calculation of chemical reaction rates for polyatomics
17. MORATE 6.5: A new version of a computer program for direct dynamics calculations of chemical reaction rate constants
18. POLYRATE 6.5: A new version of a computer program for the calculation of chemical reaction rates for polyatomics
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