A. Koutselos: Publications

1. Correlation and prediction of dispersion coefficients for isoelectronic systems
   A. D. Koutselos and E. A. Mason
   J. Chem. Phys. 85, 2154-2160 (1986)
   [PDF] [DOI: 10.1063/1.451108]
2. Interaction universality and scaling laws for interaction potentials between closed-shell atoms and ions
   A. D. Koutselos, E. A. Mason, and L. A. Viehland
   J. Chem. Phys. 93, 7125-7136 (1990)
   [PDF] [DOI: 10.1063/1.459436]
3. Model molecular hamiltonians
   A. Koutselos and U. Mohanty
   Physica A 166, 99-114 (1990)
   [PDF] [DOI: 10.1016/0378-4371(90)90101-W]
   Correction to: Model molecular hamiltonians
   A. Koutselos and U. Mohanty
   Physica A 173, 303 (1991)
   [PDF] [DOI: 10.1016/0378-4371(91)90263-C]
4. Generalized Einstein relations for ions in molecular gases
   A. D. Koutselos and E. A. Mason
   Chem. Phys. 153, 351-370 (1991)
   [PDF] [DOI: 10.1016/0301-0104(91)80049-N]
5. Thermodynamic steady-state laws for nonlinear chemical-systems far from equilibrium
   Andreas D. Koutselos
   Phys. Lett. A 180, 103 (1993)
   [PDF] [DOI: 10.1016/0375-9601(93)90502-Q]
6. Steady state thermodynamics for homogeneous chemical systems
   Andreas D. Koutselos
   J. Chem. Phys. 101, 10866-10872 (1994)
   [PDF] [DOI: 10.1063/1.467836]
7. Molecular dynamics simulation of gaseous ion-motion in electrostatic fields
   Andreas D. Koutselos
   J. Chem. Phys. 102, 7216-7221 (1995)
   [PDF] [DOI: 10.1063/1.469116]
   Erratum: Steady state thermodynamics for homogeneous chemical systems [J. Chem. Phys. 101, 10 866 (1994)]
   Andreas D. Koutselos
   J. Chem. Phys. 103, 489 (1995)
   [PDF] [DOI: 10.1063/1.469618]
8. Velocity correlation functions, Fickian and higher order diffusion coefficients for ions in electrostatic fields via molecular dynamics simulation
   Andreas D. Koutselos
   J. Chem. Phys. 104, 8442-8448 (1996)
   [PDF] [DOI: 10.1063/1.471543]
9. Dynamic properties and third order diffusion coefficients of ions in electrostatic fields
   Andreas D. Koutselos
   J. Chem. Phys. 106, 7117-7123 (1997)
   [PDF] [DOI: 10.1063/1.473733]
10. Third-order transport coefficients of ions in electrostatic fields
    Andreas D. Koutselos
    J. Chem. Phys. 110, 3256-3257 (1999)
    [PDF] [DOI: 10.1063/1.477914]
11. Ion dynamics in electrostatic fields
    Andreas D. Koutselos
    J. Phys. B At. Mol. Opt. 32, 1225-1231 (1999)
12. Third-order transport properties of ions in electrostatic fields
    Andreas D. Koutselos
    Chem. Phys. 270, 165-175 (2001)
    [PDF] [DOI: 10.1016/S0301-0104(01)00395-0]
13. Molecular dynamics simulation of ion transport in moderately dense gases in an electrostatic field
    Georgia Balla and Andreas D. Koutselos
    J. Chem. Phys. 119, 11374-11379 (2003)
    [PDF] [DOI: 10.1063/1.1622377]
14. Transport properties of diatomic ions in moderately dense gases in an electrostatic field
    Koutselos AD, Samios J
    Pure Appl. Chem. 76 223-229 (2004)
    [PDF] [DOI: 10.1351/pac200476010203]
15. Third-order transport properties of ion-swarms from mobility and diffusion coefficients
    Andreas D. Koutselos
    Chem. Phys. 315, 193-200 (2005)
    [PDF] [DOI: doi:10.1016/j.chemphys.2005.03.026]
16. Mixed quantum-classical molecular dynamics simulation of vibrational relaxation of ions in an electrostatic field
    Andreas D. Koutselos
    J. Chem. Phys. 125, 244304 (8 pages) (2006)
    [PDF] [DOI: 10.1063/1.2424457]
17. A computational study on the adsorption and OH initiated photochemical and photocatalytic primary oxidation of aniline
    Hilal S. Wahab, Andreas D. Koutselos
    Chem. Phys. 358, 171-176 (2009)
    [PDF] [DOI: 10.1016/j.chemphys.2009.01.013]
18. Computational modeling of the adsorption and OH initiated photochemical and photocatalytic primary oxidation of nitrobenzene
    Hilal S. Wahab and Andreas D. Koutselos
    J. Mol. Model. 15, 1237-1244 (2009)
    [PDF] [DOI: 10.1007/s00894-009-0487-0]
19. Kinetic and Theoretical Studies on the Protonation of [Ni(2-SC₆H₄N){PhP(CH₂CH₂PPh₂)₂}]⁺: Nitrogen versus Sulfur as the Protonation Site
    A. L. Petrou, A. D. Koutselos, H. S. Wahab, W. Clegg, R. W. Harrington, and R. A. Henderson
    Inorg. Chem. 50, 847-857 (2011)
    [PDF] [DOI: 10.1021/ic101444d]
20. Transport and dynamic properties of O₂⁺(X²Π_g) in Kr under the action of an electrostatic field: Single or multiple potential energy surface treatment
    A. D. Koutselos
    J. Chem. Phys. 134, 194301 (7 pages) (2011)
    [PDF] [DOI: 10.1063/1.3589164]
21. Comparative Study of the Adsorption of Aromatic Pollutants onto TiO₂ (100) Surface via Molecular Simulation
    H. S. Wahab and A. D. Koutselos
    Aust. J. Chem. 64, 1611-1616 (2011)
    [PDF] [DOI: 10.1071/CH10288]
22. 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]
23. Molecular Dynamics Simulation for the Dynamics and Kinetics of Folding Peptides in the Gas Phase
    I. Litinas and A. D. Koutselos
    J. Phys. Chem. A 119, 12935-12944 (2015)
    [PDF] [DOI: 10.1021/acs.jpca.5b05231]
    Correction to "Molecular Dynamics Simulation for the Dynamics and Kinetics of Folding Peptides in the Gas Phase"
    I. Litinas and A. D. Koutselos
    J. Phys. Chem. A 120, 1133 (2016)
    [PDF] [DOI: 10.1021/acs.jpca.6b01372]
24. Dynamics of flexible peptides under the action of an electrostatic field in the gas phase
    I. Litinas and A. D. Koutselos
    J. Mol. Liquids 245, 115-120 (2017)
    [PDF] [DOI: 10.1016/j.molliq.2017.07.049]
25. Structure Distribution of Gaseous Ions in Strong Electrostatic Fields
    I. Litinas and A. D. Koutselos
    J. Phys. Chem. A 123, 5683-5691 (2019)
    [PDF] [DOI: 10.1021/acs.jpca.9b03441]