Complete List of Publications 1996-2000

  1. S. Matsika, A. Papakondylis and A. Mavridis:
    Ab initio Study of the Electronic Structure of the Ground State and Excited States of Lithium Íitrene, N-Li:
    Chem. Phys. Lett. 250, 409 (1996).

  2. V. A. Glezakou, J. F. Harrison and A. Mavridis:
    Electronic Structure of the Ground and Low-Lying Excited States of TiP:
    J. Phys. Chem. 100, 13971 (1996).

  3. A. Kalemos, A. Papakondylis and A. Mavridis:
    Elucidation of the Structural Characteristics of the Isovalent Systems Li[CO] and Li[CS] by Ab Initio Methods
    Chem. Phys. Lett. 259, 185 (1996).

  4. A. Papakondylis, P. Sautet
    Ab initio study of the structure of á-MoO3 solid and study of the adsorption of H2O and CO molecules on its (100) surface
    J. Phys. Chem. 100, 10681 (1996).

  5. D. Dellis, J. Samios:
    Density dependence of the structural properties and translational diffusion of Carbonyl Sulphide diluted in monoatomic solvents. A Molecular Dynamics investigation
    J. Molec. Liquids, 185, 70(1996)

  6. Andreas D. Koutselos:
    Velocity correlation functions, Fickian and higher order diffusion coefficients for ions in electrostatic fields via molecular dynamics simulation.
    J. Chem. Phys. 104, 8442 (1996)

  7. H. S. Karayianni, G. S. Patermarakis, J. C. Papaioannou:
    The Electrical Properties and Quality Factor Of Nickel Electrodeposits
    J. Mat. Sci. 31, 6535(1996).

  8. Z. Yang, G.-E. Yu, J. Cooke, Z. A.-Adib, K. Viras, H. Matsuura, A. J. Ryan and C. Booth:
    Preparation and Crystallinity of a Large Unsubstituted Crown Ether, Cyclic Heptacosa(oxyethylene) (cyclo-E27, 81-crown-27) Studied by Raman Spectroscopy, X-Ray Scattering and Differential Scanning Calorimetry
    J. Chem. Soc. Faraday Trans., 92, 3173 (1996).

  9. G.-E. Yu, T. Sun, Z.-G. Yan, C. Price, C. Booth, J. Cooke, A. J. Ryan and K. Viras:
    Low-Molar-Mass Cyclic Pol(oxyethylene)s Studied by Raman Spectroscopy, X-Ray Scattering and Differential Scanning Calorimetry
    Polymer, 38, 35 (1997).

  10. Z. Yang, J. Cooke, K. Viras, P. A. Gorry, A. J. Ryan and C. Booth:
    Chain Folding in Cyclic Oligo(oxyethylene)s. Crystallinity of Large Unsubstituted Crown Ethers by X-ray Scattering and Differential Scanning Calorimetry
    J. Chem. Soc., Faraday Trans., 93, 4033 (1997).

  11. S. M. Mai, J. P. A. Fairclough, K. Viras, P. A. Gorry, I. W. Hamley, A. J. Ryan and C. Booth:
    Chain Folding in Semicrystalline Oxyethylene/Oxybutylene Diblock Copolymers
    Macromolecules, 30, 8392 (1997).

  12. A. Kelarakis, V. Havredaki, G. E. Yu, L. Derici and C. Booth:
    Temperature Dependence of the Critical Micelle Concentrations of Diblock Oxyethylene/Oxybutylene Copolymers. A Case of Athermal Micellisation
    Macromolecules 31, 944 (1997).

  13. S. S. Xantheas, T. H. Dunning and A. Mavridis:
    On the Dissociation Energies of NF (X3Ó-) and NCl (X3Ó-)
    J. Chem. Phys. 106, 3220 (1997).

  14. D. Tzeli, A. Papakondylis and A. Mavridis:
    On the Electronic Structure of the Ground (X3Ó-) and Some Low-Lying States (A3Ð, a1Ä, b1Ó+, B3Ó-) of the Isovalent Species PLi and PNa
    J. Mol. Struct.(Theochem) 417, 277 (1997).

  15. Andreas D. Koutselos:
    Dynamic properties and third order diffusion coefficients for ions in electrostatic fields.
    J. Chem. Phys. 106, 7117 (1997)

  16. P. Aroni:
    Characterization of Mo Species Supported on SiO2 Modified with Be2+ and Mg2+
    Ber. Bunsenges. Phys. Chem. 101, 1544 (1997).

  17. J. P. Biesecker, G. B. Ellison, H. Wang, M. J. Iedema, A. A. Tsekouras, and J. P. Cowin:
    Ion beam source for soft-landing deposition
    Rev. Sci. Instrum. 69, 485 (1998)

  18. A. A. Tsekouras, M. J. Iedema, G. B. Ellison, J. P. Cowin:
    Soft-landed ions: A route to ionic solution studies
    Int. J. Mass Spectrom. Ion Procecces 174, 219 (1998).

  19. A. A. Tsekouras, M. J. Iedema, and J. P. Cowin:
    Amorphous water ice relaxations measured with soft-landed ions
    Phys. Rev. Lett. 80, 5798 (1998).

  20. Ferroelectricity in water ice
    M. J. Iedema, M. J. Dresser, D. L. Doering, J. B. Rowland, W. P. Hess, A. A. Tsekouras, and J. P. Cowin
    J. Phys. Chem. B 102, 9203 (1998)

  21. A. Kalemos and A. Mavridis:
    On the Electronic Structure of ScB+: Ground and Low-Lying Excited States
    Adv. Quantum Chem. 32, 69 (1998).

  22. D. Tzeli, A. Papakondylis and A. Mavridis:
    On the Electronic Structure of NLi2 and PLi2. Ground and Low-Lying Excited States
    J. Phys. Chem. Á 102, 2223 (1998).

  23. A. Kalemos and A. Mavridis:
    Bonding Investigation of the Ground and Low-Lying States of the Titanium Boride Cation TiB+
    J. Phys. Chem. Á 102, 5982 (1998).

  24. A. Kalemos, A. Mavridis and S. S. Xantheas:
    A Theoretical Investigation of the Ground X3Ó- State of Nitrogen Bromide
    J. Phys. Chem. Á 102, 10536 (1998).

  25. G. Chatzis, J. Samios, M. Chalaris:
    Structural and Dynamical Properties of HCl Dissolved in CCl4. Á Molecular Dynamics Study
    Chemical Physics, 228,241 (1998)

  26. Ì. Chalaris, J. Samios:
    A Molecular Dynamics Simulation Study of LiCl diluted in DMF(-d7)
    J. Molec. Liquids, 78, 201(1998)

  27. J. Samios, D. Katakis, D. Dellis, E. Lyris, C. Mitsopoulou:
    Solvation and Catalyst-Substrate of a Tungsten tris (dithiolene) Complex Dissolved in Water-Acetone. A Molecular Dynamics Model Calculation
    J. Chem. Soc., Faraday Trans., 94, 3169 (1998)

  28. N. G. Tsierkezos, I. E. Molinou:
    Thermodynamic Properties of Water + Ethylene Glycol at 283.15, 293.15, 303.15, and 313.15 K.
    J. Chem. Eng. Data 43, 989-993 (1998)

  29. S. Makedonopoulou, I. M. Mavridis, K. Yannakopoulou and J. Papaioannou:
    Organization of long aliphatic monocarboxylic acids in â-cyclodextrin channels: crystal structures of the inclusion complexes of tridecanoic acid and (Z)-tetradec-7- enoic acid in â-cyclodextrin.
    Chem. Commun., 2133-2134 (1998)

  30. J. Cooke, K. Viras, G-E. Yu, T. Sun, T. Yonemitsu, A. J. Ryan, C. Price and C. Booth:
    Large Cyclic Poly(oxyethylene)s: Chain Folding in the Crystalline State Studied by Raman Spectroscopy, X-ray Scattering and Differential Scanning Calorimetry
    Macromolecules, 31, 3030 (1998).

  31. M. Soutzidou, A. Panas and K. Viras:
    Differential Scanning Calorimetry (DSC) and Raman Spectroscopy Study of Poly(dimethylsiloxane)
    J. Polym. Sci. Polym. Phys. Ed., 36, 2805 (1998).

  32. A. Kelarakis, V. Havredaki, L. Derici, G. E. Yu, C. Booth and I. W. Hamley:
    Effect of block architecture on the micellisation and gelation of block copolymers of ethylene oxide abd 1,2-dutylene oxide in aqueous solution
    J. Chem. Soc., Faraday Trans. 94, 3639 (1998).

  33. H. Altinok, S. K. Nixon, P. A. Gorry, D. Attwood, C. Booth, A. Kelarakis and V. Havredaki:
    Micellisation and Gelation of Diblock Copolymers of Ethylene Oxide and Propylene Oxide in Aqueous Solution. The Effect of P-block Length
    Colloids. Surf. B 16, 73, (1999)

  34. M. Soutzidou, A. J. Masters, K. Viras and C. Booth:
    The LAM-1 Band in the Low-frequency Raman Spectra of Even and Odd Monosubstituted n-Alkanes
    Phys. Chem. Chem. Phys, 1, 415 (1999).

  35. S. A. Berrill, F. Heatley, J. H. Collett, D. Attwood, C. Booth, J. P. A. Fairclough, A. J. Ryan, K. Viras:
    Chain Folding in poly(å-caprolactone) studied by Small-angle X-ray Scattering and Raman Spectroscopy. A Strategy for Bleding in the Crystalline State
    J. Mater. Chem., 9, 1059 (1999).

  36. V-A. Glezakou, M. Soutzidou, C. Loukoutos, I. Xexakis and K. Viras
    Properties of Polyvinylchloride in Solution: An Hydrodynamic and Vibrational Spectroscopy Study
    J. Polym. Sci. Polymer Phys. Ed., 37, 1351 (1999)

  37. J. C. Papaioannou, N. D. Papadimitropoulos and I. M. Mavridis :
    Dielectric relaxation of â-cyclodextrin complex with 4-t-butylbenzyl alcohol.
    Molec. Phys. 97, 611-627 (1999)

  38. A. Papakondylis and A. Mavridis:
    A Theoretical Investigation of the Structure and Bonding of Diazomethane CH2N2
    J. Phys. Chem. Á     103, 1255 (1999).

  39. A. Kalemos and A. Mavridis:
    Ground and Low-Lying States of Vanadium Boride Cation VB+. An ab initio Investigation
    J. Phys. Chem. Á 103, 3336 (1999).

  40. A. Papakondylis and A. Mavridis:
    Electronic and geometrical structure of Sc[BO]+ cation. An ab initio investigation
    J. Phys. Chem. A 103, 9359 (1999).

  41. A. Kalemos, A. Metropoulos and A. Mavridis:
    An accurate description of the ground and excited states of CH
    J. Chem. Phys. 111, 9536 (1999).

  42. Andreas D. Koutselos:
    Ion dynamics in electrostatic fields.
    J. Phys. B, 32, 1225 (1999).

  43. Andreas D. Koutselos:
    Third order transport coefficients of ions in electrostatic fields.
    J. Chem. Phys. 110, 3256 (1999).

  44. N. G. Tsierkezos, I. E. Molinou:
    Densities and Viscosities of Ethylene Glycol Binary Mixtures at 293.15 K
    J. Chem. Eng. Data 44, 955-958 (1999)

  45. Ì. Chalaris, J. Samios:
    Hydrogen Bonding in Supercritical Methanol. A Molecular Dynamics Investigation
    J. Phys. Chem. Â, 103, 1161 (1999)

  46. A. A. Tsekouras, M. J. Iedema, and J. P. Cowin:
    Soft-landed ion diffusion studies on vapor-deposited hydrocarbon films
    J. Chem. Phys. 111, 2222 (1999)

  47. M. R. Tate, D. Gosalvez-Blanco, D. P. Pullman, A. A. Tsekouras, Y. L. Li, J. J. Yang, K. B. Laughlin, S. C. Eckman, M. F. Bertino, and S. T. Ceyer:
    Fluorine atom abstraction by Si(100). I. Experimental
    J. Chem. Phys. 111, 3679 (1999)

  48. J. P. Cowin, A. A. Tsekouras, M. J. Iedema, K. Wu & G. B. Ellison
    Immobility of protons in ice from 30 to 190 K
    Nature 398, 405 (1999)

  49. K. Wu, M. J. Iedema, A. A. Tsekouras, J. P. Cowin:
    Probing aqueous-organic interfaces with soft-landed ions:
    Nucl. Instr. and Meth. in Phys. Res. B 157, 259 (1999)

  50. D. Tzeli, A. Mavridis and S. S. Xantheas:
    A first Principles Study of the Acetylene-Water Interaction
    J. Chem. Phys. 112, 6178 (2000).

  51. I. S. K. Kerkines and A. Mavridis:
    Ab Initio Investigation of the LiHe X2Ó+, A2Ð and B2Ó+ States. A Basis Set Study
    J. Phys. Chem. A 104, 408 (2000).

  52. A. Kalemos and A. Mavridis:
    Electronic structure determination of chromium boride cation, CrB+
    J. Chem. Phys. 113, 2270 (2000).

  53. D. Tzeli and A. Mavridis:
    Electronic structure of ScAl+. Ground and low-lying excited states,
    J. Phys. Chem. A 104, 6861 (2000).

  54. I. S. K. Kerkines and A. Mavridis:
    Electronic structure of scandium and titanium carbide cations, ScC+, TiC+. Ground and low-lying excited states
    J. Phys. Chem. A 104, 11777 (2000).

  55. A. Metropoulos and A. Mavridis
    Predissociation lifetimes of the E2Ð and F2Ð states of CH
    Chem. Phys. Lett. 331, 89 (2000)

  56. Ì. Chalaris, J. Samios:
    Systematic molecular dynamics studies of liquid Í, Í Dimethyl Formamide (DMF) using optimized rigid force fields. Investigation of the thermodynamic, structural, transport and dynamic properties
    J. Chem. Phys. 112, 8581 (2000)

  57. G. Chatzis, J. Samios:
    The Isotopic and Temperature Dependent Properties of Hydrogen Chloride Diluted in Carbon Tetrachloride. A molecular Dynamics Approach.
    Chem. Phys., 257, 51 (2000)

  58. N. G. Tsierkezos, M. M. Palaiologou, I. E. Molinou:
    Densities and Viscosities of 1-Pentanol Binary Mixtures at 293.15 K
    J. Chem. Eng. Data 45, 272-275 (2000)

  59. N. G. Tsierkezos, A. E. Kelarakis, M. M. Palaiologou:
    Densities, Viscosities, Refractive Indices, and Surface Tensions of Dimethyl Sulfoxide + Butyl Acetate Mixtures at (293.15, 303.15, and 313.15) K.
    J. Chem. Eng. Data 45, 395-398 (2000)

  60. N. G. Tsierkezos, I. E. Molinou:
    Limiting Molar Conductances and Thermodynamic Association Constants for Nickel(II), Cadmium(II), Magnesium(II), and Copper(II) Sulfates in Mixtures of Methanol and Water at 293.15 K.
    J. Chem. Eng. Data 45, 819-822 (2000)

  61. N. G. Tsierkezos, A. E. Kelarakis, I. E. Molinou
    Densities, Viscosities, Refractive Indices, and Surface Tensions of 4-Methyl-2-Pentanone + Ethyl Benzoate Mixtures at (283.15, 293.15, and 303.15) K.
    J. Chem. Eng. Data 45, 776-779 (2000)

  62. S. Makedonopoulou, J. Papaioannou, I. Argyroglou and I. M. Mavridis:
    Crystal Structures of the Inclusion Complexes of â-Cyclodextrin with Aliphatic Monoacids Tridecanoic Acid and (Z)-Tetradec-7-enoic Acid. Formation of [3] Pseudoro taxanes.
    J. Incl. Phenom. Macroc. Chem. 36, 191-215 (2000)

  63. J. C. Papaioannou , N. D. Papadimitropoulos and K. Viras
    Dielectric behaviour of á-cyclodextrin, heptakis (2,3,6-tri-O-methyl) â-cyclodextrin , randomly methylated â-cyclodextrin and low frequency Raman spectra of á- and â-cyclodextrins.
    Molec. Phys. 98, 00 (2000)

  64. M. R. Tate, D. P. Pullman, Y. L. Li, D. Gosalvez-Blanco, A. A. Tsekouras, and S. T. Ceyer:
    Fluorine atom abstraction by Si(100). II. Model:
    J. Chem. Phys. 112, 5190 (2000)

  65. W. Mingvanish, A. Kelarakis, S.-M. Mai, C. Daniel, Z. Yang, V. Havredaki, I. W. Hamley, A. J. Ryan, and C. Booth:
    Rheology and Structures of Aqueous Gels of Diblock(Oxyethylene/Oxybutylene) Copolymer E22B7, J. Phys. Chem. B 104, 9788 (2000).

  66. S. Mai, C. Booth, A. Kelarakis, V. Havredaki, and A. J. Ryan:
    Association and Surface Properties of Poly(ethylene oxide)-Poly(styrene oxide) Diblock Copolymers in Aqueous Solution
    Langmuir 16, 1681 (2000).

  67. A. Kelarakis, W. Mingvanish, C. Daniel, H. Li, V. Havredaki, C. Booth, I. W. Hamley, and A. Ryan
    Rheology and structures of aqueous gels of diblock (oxyethylene-oxybutylene) copolymers with lengthy oxyethylene blocks
    Phys. Chem. Chem. Phys. 2, 2755 (2000)