I. Samios: Publications

  1. Collision dynamics in liquids - A molecular-dynamics study
    T. Dorfmüller, J. Samios
    Ber. Bunsen Phys. Chem. 86, 469-469 (1982)
  2. Collision effects in liquid CCl4 - A molecular-dynamics study
    Samios J, Dorfmuller T
    J. Chem. Phys. 76 5463-5466 (1982)
    [PDF] [DOI: 10.1063/1.442895]
  3. Molecular-dynamics of liquid argon - Collision times and durations
    Samios J, Samios D, Mersch W, Dorfmuller T
    Ber. Bunsen Phys. Chem. 86 52-56 (1982)
  4. Collision-induced absorption in nonpolar molecular liquids - Tetrahedral molecules
    Arning HJ, Samios J, Tibulski K, Dorfmuller T
    Chem. Phys. 67 177-184 (1982)
    [Abstract] [DOI: 10.1016/0301-0104(82)85032-5]
  5. Application of the mode matching model to V-T relaxation in liquid CCl4
    Samios D, Samios J, Dorfmuller T
    Mol. Phys. 49 543-549 (1983)
    [PDF] [DOI: 10.1080/00268978300101341 ]
  6. A molecular-dynamics simulation of interaction-induced dipole correlation-functions in liquid CS2
    Th. Dorfmüller, J. Samios
    Mol. Phys. 53 1167-1176 (1984)
    [PDF] [DOI: 10.1080/00268978400102921]
  7. Steric hindrance of diffusion controlled reactions
    Lopez - Quintela MA, Samios J, Knoche W
    J. Mol. Liq. 29 243-261 (1984)
    [PDF] [DOI: 10.1016/0167-7322(84)80053-7]
  8. The far infrared-absorption spectrum of liquid-nitrogen A molecular-dynamics simulation study
    Samios J, Mittag U, Dorfmuller T
    Mol. Phys. 56 541-556 (1985)
    [PDF] [DOI: 10.1080/00268978500102511]
  9. Interaction-induced far infrared-spectra of liquid CS2-CCl4 mixtures
    Potthast L, Samios J, Dorfmuller T
    Chem. Phys. 102 147-153 (1986)
    [Abstract] [DOI: 10.1016/0301-0104(86)85126-6]
  10. A molecular-dynamics simulation of interaction-induced fir absorption-spectra of liquid CS2
    Samios J, Mittag U, Dorfmuller T
    Mol. Phys. 59 65-79 (1986)
    [PDF] [DOI: 10.1080/00268978600101911]
  11. Octupole and hexadecapole induction mechanisms in interaction-induced spectra - A molecular-dynamics simulation of liquid CCl4
    Dorfmuller T, Samios J, Mittag U
    Chem. Phys. 107 397-403 (1986)
    [Abstract] [DOI: 10.1016/0301-0104(86)85017-0]
  12. Brownian-motion and fractal geometry in the liquid-state - Translation of linear-molecules
    Samios J, Pfeifer P, Mittag U, Obert M, Dorfmuller T
    Chem. Phys. Lett. 128 545-550 (1986)
    [Abstract] [DOI: 10.1016/0009-2614(86)80670-4]
  13. Translational correlation-function of interaction-induced dipoles in dense media
    Gburski Z, Samios J, Dorfmuller T
    J. Chem. Phys. 86 383-390 (1987)
    [PDF] [DOI:10.1063/1.452575]
  14. Influence of fractal dimension on diffusion-controlled reactions
    Lopez - Quintela MA, Perez - Moure JC, Bujan - Nunez MC, Samios J
    Chem. Phys. Lett. 138 476-480 (1987)
    [Abstract] [DOI: 10.1016/0009-2614(87)80544-4]
  15. Translational component of the interaction-induced dipole correlation-functions in dense fluids
    Gburski Z, Samios J, Dorfmuller T
    J. Chem. Phys. 87 7348-7349 (1987)
    [PDF] [DOI:10.1063/1.453332]
  16. Molecular-dynamics simulation of the liquid-mixture CCl4/CS2 .1. Thermodynamic and structural-properties
    Mittag U, Samios J, Dorfmuller T
    Mol. Phys. 66 51-64 (1989)
    [PDF] [DOI: 10.1080/00268978900100021]
  17. A comparative molecular-dynamics and neutron-scattering study of the liquid-mixture carbon-tetrachloride carbon-disulfide
    Mittag U, Samios J, Dorfmueller T, Stguenster, Zeidler MD, Chieux P
    Mol. Phys. 67 1141-1151 (1989)
    [PDF] [DOI: 10.1080/00268978900101691]
  18. Concentration effects on collision-induced depolarized Rayleigh lineshapes in CS2/CCl4 mixtures
    Strehle F, Dorfmuller T, Samios J
    Mol. Phys. 72 993-997 (1991)
    [PDF] [DOI: 10.1080/00268979100100731]
  19. Concentration dependent far infrared-absorption spectra of the mixtures furan/CS2, furan/CCl4, furan/C6H6
    Haritopoulou M, Samios J, Zoidis E, Dorfmuller T
    Ber. Bunsen Phys. Chem.. 95 1637-1642 (1991)
  20. MD simulations of liquids with Td, Oh molecular symmetry - A 2 model potentials approach
    Stassen H, Samios J, Dorfmuller T
    Mol. Simulat. 8 215-226 (1992)
  21. Test of effective pair potential models by molecular-dynamics simulation on liquid OCS
    Samios J, Stassen H, Dorfmuller T
    Chem. Phys. 160 33-39 (1992)
    [Abstract] [PDF] [DOI: 10.1016/0301-0104(92)87089-R]
  22. Molecular-dynamics investigations of the electrostatic interactions in liquid carbonyl sulfide
    Stassen H, Dorfmuller T, Samios J
    Mol. Phys. 77 339-350 (1992)
    [PDF] [DOI: 10.1080/00268979200102481]
  23. Far-infrared interaction-induced absorption-spectra of CS2-C6H6 liquid-mixtures
    Zoidis E, Samios J, Dorfmuller T
    Chem. Phys. 168 349-356 (1992)
    [Abstract] [DOI: 10.1016/0301-0104(92)87168-9]
  24. Far-infrared absorption-spectra of thiophene in liquid solutions with carbon-disulfide
    Haritopoulou M, Samios J, Dellis D, Zoidis E
    Chem. Phys. 169 103-111 (1993)
    [Abstract] [DOI: 10.1016/0301-0104(93)80045-B]
  25. Time correlation-functions of liquid OCS - A molecular-dynamics simulation study
    Samios J, Stassen H
    Chem. Phys. 170 193-200 (1993)
    [Abstract] [DOI: 10.1016/0301-0104(93)80064-G]
  26. Density-dependent structural-properties of dilute mixtures of OCS with argon - A molecular-dynamics investigation
    Samios J, Dellis D, Stassen H
    Chem. Phys. 178 83-92 (1993)
    [Abstract] [DOI: 10.1016/0301-0104(93)85053-B]
  27. Molecular-dynamics simulation of the liquid-mixtures CCl4/CS2 .2. Concentration-dependence of the translational and rotational motion
    Mittag U, Samios J, Dorfmuller T
    Mol. Phys. 81 1143-1154 (1994)
    [PDF] [DOI: 10.1080/00268979400100761]
  28. Estimation of the cancellation effects in interaction-induced far-ir spectra of liquid-mixtures via MD simulation - Application to the CCl4/CS2 mixture at different mole fractions
    Samios J, Mittag U
    J. Phys. Chem. 98 2033-2037 (1994)
    [PDF] [DOI: 10.1021/j100059a009]
  29. Dynamical properties of carbonyl sulfide diluted in argon at different densities - a molecular-dynamics investigation
    Dellis D, Samios J
    Chem. Phys. 192 281-294 (1995)
    [PDF] [DOI: 10.1016/0301-0104(94)00385-N]
  30. Density dependence of the structural properties and translational diffusion of carbonyl sulphide diluted in monoatomic solvents. A molecular dynamics investigation.
    Dellis D, Samios J
    J. Mol. Liq. 70 185-198 (1996)
    [PDF] [DOI: 10.1016/0167-7322(96)00967-1]
  31. Structural and dynamical properties of HCl dissolved in CCl4. A molecular dynamics study
    Chatzis G, Chalaris M, Samios J
    Chem. Phys. 228 241-253 (1998)
    [PDF] [DOI: 10.1016/S0301-0104(97)00338-8]
  32. A molecular dynamics simulation study of Li+-Cl- ion pair dissolved in DMF (-d7).
    Chalaris M, Samios J
    J. Mol. Liq. 78 201-215 (1998)
    [PDF] [DOI: 10.1016/S0167-7322(98)00092-0]
  33. Solvation and catalyst-substrate superstructure of a tungsten tris(dithiolene) complex dissolved in water-acetone - A molecular dynamics model calculation
    Samios J, Katakis D, Dellis D, Lyris E, Mitsopoulou CA
    J. Chem. Soc. Faraday T. 94 3169-3175 (1998)
    [PDF] [Abstract] [DOI: 10.1039/a803586e]
  34. Hydrogen bonding in supercritical methanol. A molecular dynamics investigation
    Chalaris M, Samios J
    J. Phys. Chem. B 103 1161-1166 (1999)
    [PDF] [DOI: 10.1021/jp982559f]
  35. Systematic molecular dynamics studies of liquid N,N-dimethylformamide using optimized rigid force fields: Investigation of the thermodynamic, structural, transport and dynamic properties
    Chalaris M, Samios J
    J. Chem. Phys. 112 8581-8594 (2000)
    [PDF] [DOI:10.1063/1.481460]
  36. The isotopic and temperature dependent properties of hydrogen chloride dissolved in carbon tetrachloride. A molecular dynamics approach
    Chatzis G, Samios J
    Chem. Phys. 257 51-61 (2000)
    [PDF] [DOI:10.1016/S0301-0104(00)00133-6]
  37. Estimation of the interaction-induced effects on the far-infrared and infrared correlation functions of HCl dissolved in CCl4: A molecular dynamics study
    Chatzis G, Samios J
    J. Phys. Chem. A 105 9522-9527 (2001)
    [PDF] [DOI: 10.1021/jp011602n]
  38. Computer simulation studies of the liquid mixtures water-dimethylsulfoxide using different effective potential models: Thermodynamic and transport properties
    Chalaris M, Samios J
    J. Mol. Liq. 98-99 399-409 Sp. Iss. SI (2002)
    [PDF] [DOI: 10.1016/S0167-7322(01)00344-0]
  39. Molecular Dynamics Simulations of the liquid mixtures N, N-dimethylformamide-water using available potential models
    Chalaris M, Koufou A, Samios J
    J. Mol. Liq. 101 69-79 (2002)
    [PDF] [DOI: 10.1016/S0167-7322(02)00103-4]
  40. Binary mixtures of supercritical carbon dioxide with methanol. A molecular dynamics simulation study
    Georgios Chatzis, Jannis Samios
    Chem. Phys. Lett. 374 187-193 (2003)
    [PDF] [DOI: 10.1016/S0009-2614(03)00640-7]
  41. Molecular dynamics simulation of dilute aqueous DMSO solutions. A temperature-dependence study of the hydrophobic and hydrophilic behaviour around DMSO
    Ricardo L. Mancera, Michalis Chalaris, Keith Refson, Jannis Samios
    Phys. Chem. Chem. Phys. 6 94-102 (2004)
    [PDF] [DOI: 10.1039/b308989d]
  42. Molecular dynamics of cis/trans N-methylformamide liquid mixture using a new optimized all atom rigid force field
    Ioannis Skarmoutsos and Jannis Samios
    Chem. Phys. Lett. 384 108-113 (2004)
    [PDF] [DOI: 10.1016/j.cplett.2003.11.096]
  43. European Molecular Liquids Group (EMLG) Annual Meeting on the Physical Chemistry of Liquids - Novel approaches to the structure, dynamics of liquids: Experiments, theories, and simulation - Held in Rhodes, Greece, 7-15 September 2002 -Preface
    J. Samios, P.A. Bopp
    Pure Appl. Chem. 76, V-VII (2004)
  44. Translational and rotational dynamics in supercritical methanol from molecular dynamics simulation
    Chalaris M, Samios J
    Pure Appl. Chem. 76 203-213 (2004)
    [Abstract] [PDF] [DOI: 10.1351/pac200476010223]
  45. Transport properties of diatomic ions in moderately dense gases in an electrostatic field
    Koutselos AD, Samios J
    Pure Appl. Chem. 76 223-229 (2004)
    [Abstract] [PDF] [DOI: 10.1351/pac200476010203]
  46. Special issue - Novel Approaches to the Structure and Dynamics of Liquids: Experiments, Theories and Simulations - Meeting of the European and Japanese Molecular Liquid Groups (EMLG/JMLG) September 7-15, 2002, Rhodos, Greece - Preface
    P. A. Bopp, J. Samios, M. D. Zeidler
    J. Mol. Liq. 110, 1-2 (2004)
    [PDF] [DOI: 10.1016/j.molliq.2003.08.009
  47. The concentration effect on the 'hydrophobic' and 'hydrophilic' behaviour around DMSO in dilute aqueous DMSO solutions. A computer simulation study
    Mancera RL, Chalaris M, Samios J
    J. Mol. Liq. 110 147-153 (2004)
    [PDF] [Abstract] [DOI: 10.1016/j.molliq.2003.09.010]
  48. The temperature and density dependence of fluid xenon self-diffusion coefficients: a comparison between experimental, theoretical and molecular dynamics results
    Marinakis S, Samios J
    J. Supercrit. Fluid 34 81-89 (2005)
    [PDF] [DOI: 10.1016/j.supflu.2004.10.002]
  49. Investigation of the vapor-liquid equilibrium and supercritical phase of pure methane via computer simulations
    Skarmoutsos I, Kampanakis LI, Samios J
    J. Mol. Liq. 117 33-41 Sp. Iss. (2005)
    [PDF] [DOI: 10.1016/j.molliq.2004.08.014]
  50. Pressure and Temperature Dependence of the Hydrogen Bonding in Supercritical Ethanol: A Computer Simulation Study
    Dellis, D.; Chalaris, M.; Samios, J.
    J. Phys. Chem. B 109 18575-18590 (2005)
    [PDF] [DOI: 10.1021/jp051688a]
  51. SiC Nanotubes: A Novel Material for Hydrogen Storage
    Giannis Mpourmpakis and George E. Froudakis, George P. Lithoxoos and Jannis Samios
    Nano Lett. 6, 1581-1883 (2006)
    [PDF] [DOI: 10.1021/nl0603911]
  52. Local intermolecular structure and dynamics in binary supercritical solutions. A molecular dynamics simulation study of methane in carbon dioxide
    Ioannis Skarmoutsos and Jannis Samios
    J. Mol. Liq. 125, 181-186 (2006)
    [PDF] [DOI: 10.1016/j.molliq.2005.11.023]
  53. Local Density Inhomogeneities and Dynamics in Supercritical Water: A Molecular Dynamics Simulation Approach
    I. Skarmoutsos and J. Samios
    J. Phys. Chem. B 110, 21931-21937 (2006)
    [PDF] [DOI: 10.1021/jp060955p]
  54. Local density augmentation and dynamic properties of hydrogen-and non-hydrogen-bonded supercritical fluids: A molecular dynamics study
    Ioannis Skarmoutsos and Jannis Samios
    J. Chem. Phys. 126, 044503 (16 pages) (2007)
    [PDF] [DOI: 10.1063/1.2431370]
  55. Effect of curvature and chirality for hydrogen storage in single-walled carbon nanotubes: A Combined ab initio and Monte Carlo investigation
    Giannis Mpourmpakis, George E. Froudakis, George P. Lithoxoos, and Jannis Samios
    J. Chem. Phys. 126, 144704 (10 pages) (2007)
    [PDF] [DOI: 10.1063/1.2717170]
  56. Investigation of the local composition enhancement and related dynamics in supercritical CO2-cosolvent mixtures via computer simulation: The case of ethanol in CO2
    Ioannis Skarmoutsos, Dimitris Dellis, and Jannis Samios
    J. Chem. Phys. 126, 224503 (10 pages) (2007)
    [PDF] [DOI: 10.1063/1.2738476]
  57. New Effective Method for Quantitative Analysis of Diffusion Jumps, Applied in Molecular Dynamics Simulations of Small Molecules Dispersed in Short Chain Systems
    Theophanes E. Raptis, Vasilios E. Raptis, and Jannis Samios
    J. Phys. Chem. B 111, 13683-13693 (2007)
    [PDF] [DOI: 10.1021/jp0729415]
  58. Investigation of Silicon Model Nanotubes as Potential Candidate Nanomaterials for Efficient Hydrogen Storage: A Combined Ab Initio/Grand Canonical Monte Carlo Simulation Study
    George P. Lithoxoos, Jannis Samios, Yannick Carissan
    J. Phys. Chem. C 112, 16725-16728 (2008)
    [PDF] [DOI: 10.1021/jp805559a]
  59. The Effect of Intermolecular Interactions on Local Density Inhomogeneities and Related Dynamics in Pure Supercritical Fluids. A Comparative Molecular Dynamics Simulation Study
    Ioannis Skarmoutsos, Dimitris Dellis and Jannis Samios
    J. Phys. Chem. B 113, 2783-2793 (2009)
    [PDF] [DOI: 10.1021/jp809271n]
  60. Conformational and Solvation Studies via Computer Simulation of the Novel Large Scale Diastereoselectively Synthesized Phosphinic MMP Inhibitor RXP03 Diluted in Selected Solvents
    Magdalini Matziari, Dimitris Dellis, Vincent Dive, Athanasios Yiotakis, Jannis Samios
    J. Phys. Chem. B 114, 421-428 (2010)
    [PDF] [DOI: 10.1021/jp903830v]
  61. Molecular force field investigation for Sulfur Hexafluoride: A computer simulation study
    D. Dellis and J. Samios
    Fluid Phase Equilibria 291, 81-89 (2010)
    PDF] [DOI: 10.1016/j.fluid.2009.12.018]
  62. Molecular simulations of benzene and hexafluorobenzene using new optimized effective potential models: Investigation of the liquid, vapor–liquid coexistence and supercritical fluid phases
    Dimitris Dellis, Ioannis Skarmoutsos, Jannis Samios
    J. Mol. Liq. 153, 25-30 (2010)
    [PDF] [DOI: 10.1016/j.molliq.2009.04.007]
  63. Hydrogen bond, electron donor-acceptor dimer, and residence dynamics in supercritical CO2-ethanol mixtures and the effect of hydrogen bonding on single reorientational and translational dynamics: A molecular dynamics simulation study
    Ioannis Skarmoutsos, Elvira Guardia, and Jannis Samios
    J. Chem. Phys. 133 014504 (13 pages) (2010)
    [PDF] [DOI: 10.1063/1.3449142]
  64. Adsorption of N2, CH4, CO and CO2 gases in single walled carbon nanotubes: A combined experimental and Monte Carlo molecular simulation study
    George P. Lithoxoos, Anastasios Labropoulos, Loukas D. Peristeras, Nikolaos Kanellopoulos, Jannis Samios, and Ioannis G. Economou
    J. Supercrit. Fluid 55, 510-523 (2010)
    [PDF] [DOI: 10.1016/j.supflu.2010.09.017]
  65. Solvation Structure and Dynamics of cis- and trans-1,2 Dichloroethene Isomers in Supercritical Carbon Dioxide. A Molecular Dynamics Simulation Study
    Dimitris Dellis, Ioannis Skarmoutsos, and Jannis Samios
    J. Phys. Chem. B 115, 12098-12107 (2011)
    [PDF] [DOI: 10.1021/jp204202p]
  66. Quantitative study of diffusion jumps in atomistic simulations of model gas-polymer systems
    Raptis, Th. E., Raptis, V. E., Samios, J.
    Mol. Phys. 110, 1171-1178 (2012)
    [PDF] [DOI: 10.1080/00268976.2012.663511]
  67. Interaction Between Silicon-Carbide Nanotube and Cholesterol Domain. A Molecular Dynamics Simulation Study.
    Raczynski, Przemyslaw; Gorny, Krzysztof; Samios, Jannis; Gburski, Zygmunt
    J. Phys. Chem. C 118 30115-30119 (2014)
    [DOI: 10.1021/jp505532f]
  68. Dynamics and drift motion of O2- in supercritical argon
    Andreas D. Koutselos, Jannis Samios
    J. Mol. Liquids 205, 115-118 (2015)
    [PDF] [DOI: 10.1016/j.molliq.2014.09.044]
  69. Molecular dynamics study of the local structure and diffusivity of partially miscible water/n-alcohols binary mixtures
    Dimitroulis, Christos; Kainourgiakis, Emmanouil; Raptis, Vasilios; Samios, Jannis
    J. Mol. Liquids 205, 46-53 (2015)
    [DOI: 10.1016/j.molliq.2014.09.045]
  70. Structure and dynamics of liquid CS2: Going from ambient to elevated pressure conditions
    Ioannis Skarmoutsos, Stefano Mossa, and Jannis Samios
    J. Chem. Phys. 145, 154505 (2016)
    [PDF] [DOI: 10.1063/1.4964816]
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