A. Mavridis: Publications

  1. Asymmetrical Changes in the Tertiary Structure of α-Chymotrypsin with Change in pH
    A. Mavridis, A. Tulinsky, and M. N. Liebman
    Biochemistry 13, 3661-3666 (1974)
    [PDF] [DOI: 10.1021/bi00715a006]
  2. Part I. Crystal and Molecular Structure of Dimethoxyporphyrinate-Ge(IV). Part II. Three Dimensional Structure of a-Chymotrypsin at pH 8.7 and 2.7 with Difference Fourier Methods
    A. Mavridis
    Dissertation for the Degree of Doctor of Philosophy, Michigan State University, Department of Chemistry (1975)
  3. Crystal and Molecular Structure of Dimethoxyporphinatogermanium(IV)
    A. Mavridis and A. Tulinsky
    Inorg. Chem. 15, 2723-2727 (1976)
    [PDF] [DOI: 10.1021/ic50165a030]
  4. Αρχές Κρυσταλλογραφίας
    Α. Μαυρίδης
    Χημικά Χρονικά (Γενική Εκδοσις) 41, (7-8) 30 (1976)
    [PDF]
  5. The Relation between the Volume Virial Coefficients and the Pressure Virial Coefficients
    A. Mavridis
    Chim. Chron. 5, 333-335 (1976)
    [PDF]
  6. A Reinvestigation of Tolane
    A. Mavridis and I. Moustakali-Mavridis
    Acta Crystallographica B 33, 3612-3615 (1977)
    [PDF] [DOI: 10.1107/S0567740877011674]
  7. Crystal and Molecular Structure of Some Thermochromic Schiff Bases
    I. Moustakali-Mavridis, E. Hadjoudis, and A. Mavridis
    Acta Crystallographica B 34, 3709-3715 (1978)
    [PDF] [DOI: 10.1107/S0567740878011930]
  8. Κβαντική Χημεία Ι. Μέθοδος Hartree-Fock σε Συστήματα Κλειστής Στοιβάδος
    Α. Μαυρίδης και Α. Κωνσταντακοπούλου-Αποστολίδου
    Χημικά Χρονικά (Γενική Εκδοσις) 44, (5) 31 (1979)
    [PDF]
  9. Crystal and Molecular Structure of Thermochromic Schiff Bases II. Structure of N-salicylidene-3-aminopyridine and N-(5-methoxysalicylidene)-3-aminopyridine
    I. Moustakali-Mavridis, E. Hadjoudis, and A. Mavridis
    Acta Crystallographica B 36, 1126-1130 (1980)
    [PDF] [DOI: 10.1107/S0567740880005432]
  10. An ab Initio Study of the Electronic Structure of the Ground Triplet and Low-Lying Singlet States of Formylnitrene, HCON, and Formylphosphinidene, HCOP
    A. Mavridis and J. F. Harrison
    J. Am. Chem. Soc. 102, 7651-7655 (1980)
    [PDF] [DOI: 10.1021/ja00546a005]
  11. Near Hartree-Fock Calculations on the Ground State of the Fluoronium Ion FH2+
    A. Mavridis and J. F. Harrison
    J. Chem. Soc. Faraday Trans. II 78, 447-455 (1982)
    [PDF] [DOI: 10.1039/F29827800447]
  12. Electronic structure of carbon-lithium, silicon-hydrogen, and silicon-lithium in the lowest 4Σ- and 2Π states
    A. Mavridis and J. F. Harrison
    J. Phys. Chem. 86, 1979-1985 (1982)
    [PDF] [DOI: 10.1021/j100208a015]
  13. Electronic Structure of the Carbyne C-Li and the Carbene Li2C
    A. Mavridis and J. F. Harrison
    J. Am. Chem. Soc. 104, 3827-3833 (1982)
    [PDF] [DOI: 10.1021/ja00378a009]
  14. Ab initio MCSCF Υπολογισμοί επί των Μοριακών Συστημάτων CNa (4Σ-, 2Π(1)) και CNa2 (3Σg, 3B1, 3Πg(3), 3A2)
    Α. Μαυρίδης
    Διατριβή επί Υφηγεσία, Αθήναι (1983)
  15. Electronic Structure of CNa and CNa2 in Their Electronic Ground States
    A. Mavridis, J. F. Harrison, and J. Liebman
    J. Phys. Chem. 88, 4973-4978 (1984)
    [PDF] [DOI: 10.1021/j150665a036]
  16. Ιστορική Εξέλιξις των Εννοιών της Χημείας Ι. Από τους Αρχαίους Ελληνες μέχρι και τον Lavoisier
    Α. Μαυρίδης
    Χημικά Χρονικά (Γενική Εκδοσις) 49, 457 (1984)
    [PDF] [html]
  17. The Electronic and Geometric Structures of the Transition-Metal Carbyne Cations ScCH+, TICH+, VCH+, and CrCH+
    A. Mavridis, A. E. Alvarado-Swaisgood, and J. F. Harrison
    J. Phys. Chem. 90, 2584-2588 (1986)
    [PDF] [DOI: 10.1021/j100403a009]
  18. Electronegativity. A Mnemonic Rule
    S. Kapelos and A. Mavridis
    J. Chem. Educ. 64, 941 (1987)
    [PDF] [DOI: 10.1021/ed064p941]
  19. The Gas Phase Chemistry of Bare and Ligated Transition Metal Ions: Correlations of Reactivity with Electronic Strucutre I. M+ and MCO+
    J. Allison, A. Mavridis and J. F. Harrison
    Polyhedron 7, 1559-1572 (1988)
    [PDF] [DOI: 10.1016/S0277-5387(00)81782-9]
  20. Ανιόντα Αλκαλιμετάλλων
    Ι. Παπαϊωάννου, Ι. Μολίνου-Προβιδάκη και Α. Μαυρίδης
    Chim. Chron. 17, 101-115 (1988)
  21. On the Electrostatic Bonding of CO to the Monocations of the First-Row Transition Elements
    A. Mavridis, J. F. Harrison and J. Allison
    J. Am. Chem. Soc. 111, 2482-2487 (1989)
    [PDF] [DOI: 10.1021/ja00189a019]
  22. Electronic and Geometric Structure of the Titanium Hydrides, TiH+ and TiH2+
    A. Mavridis and J. F. Harrison
    J. Chem. Soc. Faraday Trans. II 85, 1391-1399 (1989)
    [PDF] [DOI: 10.1039/F29898501391]
    Corrigendum to Electronic and Geometric Structure of the Titanium Hydrides, TiH+ and TiH2+
    A. Mavridis and J. F. Harrison
    J. Chem. Soc. Faraday Trans. II 86, 1625 (1990)
    [PDF] [DOI: 10.1039/FT9908601625]
  23. Gas-Phase Chemistry of First-Row Transition Metal Ions with Nitrogen Containing Compounds
    A. Mavridis, K. Kunze, J. F. Harrison and J. Alison
    in Bonding Energetics in Organometallic Compounds, T. J. Marks, Editor, ACS Symposium Series 428, Chapter 18, 263-278, American Chemical Society, Washington DC (1990)
  24. A Well Known Quantum Theorem Revisited
    S. T. Kapellos, A. T. Tsatsas, and A. Mavridis
    Eur. J. Phys. 11, 152-154 (1990)
    [PDF] [DOI: 10.1088/0143-0807/11/3/004]
  25. Electronic and Geometric Structures of ScNH2+ and ScNH3+
    A. Mavridis, F. L. Herrera, and J. F. Harrison
    J. Phys. Chem. 95, 6854-6859 (1991)
    [PDF] [DOI: 10.1021/j100171a023]
  26. Electronic Structure of Transition-Metal Amide Ions +TiNH2, +VNH2, +CrNH2, and +MnNH2
    S. Kapellos, A. Mavridis, and J. F. Harrison
    J. Phys. Chem. 95, 6860-6865 (1991)
    [PDF] [DOI: 10.1021/j100171a024]
  27. An ab initio Structural Study of Cyanamide
    S. T. Kapellos and A. Mavridis
    J. Mol. Struct. (THEOCHEM) 279, 151-155 (1993)
    [PDF] [DOI: 10.1016/0166-1280(93)90062-G]
  28. Structural Characterization of ScP+
    A. Mavridis and A. Metropoulos
    J. Phys. Chem. 97, 10955-10957 (1993)
    [PDF] [DOI: 10.1021/j100144a010]
  29. A Theoretical Study of the Geometrical Structure and Energy Inversion Barriers of the Cyanopnictogens N-C-XY2 (X=N or F; Y=H,F,Cl, or Br)
    V. A. Glezakou, S. T. Kapellos, and A. Mavridis
    J. Mol. Struct. (THEOCHEM) 305, 225-239 (1994)
    [PDF] [Abstract] [DOI: 10.1016/0166-1280(94)80158-4]
  30. Electronic and Geometrical Structure of NF2 Radical
    A. Papakondylis and A. Mavridis
    Chem. Phys. Lett. 216, 167-172 (1994)
    [PDF] [Abstract] [DOI: 10.1016/0009-2614(93)E1254-E]
  31. Ab initio Structural Study of B4H4 Molecule: Asymmetric Structure for a 'Symmetric' System
    P. Mach, I. Hubac, and A. Mavridis
    Chem. Phys. Lett. 226, 469-474 (1994)
    [PDF] [Abstract] [DOI: 10.1016/0009-2614(94)00776-4]
  32. All-Electron ab initio Calculations on Tetramethyltin
    A. Papakondylis, A. Mavridis and B. Bigot
    J. Phys. Chem. 98, 8906-8909 (1994)
    [PDF] [DOI: 10.1021/j100087a015]
  33. The ScPH+ Cation
    A. Metropoulos, A. Mavridis, and A. Papakondylis
    J. Phys. Chem. 98, 12232-12235 (1994)
    [PDF] [DOI: 10.1021/j100098a018]
  34. Theoretical Study of the Electronic and Geometrical Structure of the Ground and Low Lying States of NCl2, PCl2, NCl and PCl Radicals
    A. Papakondylis, A. Mavridis, and A. Metropoulos
    J. Phys. Chem. 99, 10759-10765 (1995)
    [PDF] [DOI: 10.1021/j100027a014]
  35. An ab initio study of Li+...C-S, a purely electrostatic molecule
    A. Kalemos, A. Papakondylis, and A. Mavridis
    J. Mol. Struct. (THEOCHEM) 357, 97-101 (1995)
    [PDF] [DOI: 10.1016/0166-1280(95)04265-8]
  36. Ab initio study of the ground and several excited states of the NLi system
    S. Matsika, A. Papakondylis, A. Mavridis
    Chem. Phys. Lett. 250, 409-414 (1996)
    [PDF] [DOI: 10.1016/0009-2614(96)00010-3]
  37. Ιστορική Εξέλιξις του Χημικού Δεσμού
    Α. Μαυρίδης
    εις το Η εξέλιξις της Χημείας στην Ελλάδα, Έκδ. Ένωσις Ελλήνων Χημικών - Εθνικό Ιδρυμα Ερευνών, Εκδόσεις Τροχαλία (1996)
  38. Electronic Structure of the Ground and Low-Lying Excited States of TiP
    V. A. Glezakou, J. F. Harrison, and A. Mavridis
    J. Phys. Chem. 100, 13971-13975 (1996)
    [PDF] [DOI: 10.1021/jp960526z]
  39. Elucidation of the Structural Characteristics of the Isovalent Systems Li[CO] and Li[CS] by Ab Initio Methods
    A. Kalemos, A. Papakondylis, and A. Mavridis
    Chem. Phys. Lett. 259, 185-192 (1996)
    [PDF] [DOI: 10.1016/0009-2614(96)00738-5]
  40. The dissociation energies of NF(X 3Σ-) and NCl(X 3Σ-)
    S. S. Xantheas, T. H. Dunning, Jr., and A. Mavridis
    J. Chem. Phys. 106, 3280-3286 (1997)
    [PDF] [DOI: 10.1063/1.474120 ]
  41. On the Electronic Structure of the Ground (X3Σ-) and Some Low-Lying States (A3Π, a1Δ, b1Σ+, B3Σ-) of the Isovalent Species P-Li and P-Na
    D. Tzeli, A. Papakondylis, and A. Mavridis
    J. Mol. Struct.(THEOCHEM) 417, 277-287 (1997)
    [PDF] [DOI: 10.1016/S0166-1280(97)00146-2]
  42. On the Electronic Structure of NLi2 and PLi2. Ground and Low-Lying Excited States
    D. Tzeli, A. Papakondylis, and A. Mavridis
    J. Phys. Chem. A 102, 2223-2230 (1998)
    [PDF] [DOI: 10.1021/jp972998z]
  43. Bonding Investigation of the Ground and Low-Lying States of the Titanium Boride Cation TiB+
    A. Kalemos and A. Mavridis
    J. Phys. Chem. A 102, 5982-5992 (1998)
    [PDF] [DOI: 10.1021/jp981088u]
  44. A Theoretical Investigation of the Ground X3Σ- State of Nitrogen Bromide
    A. Kalemos, A. Mavridis and S. S. Xantheas
    J. Phys. Chem. A 102, 10536-10539 (1998)
    [PDF] [DOI: 10.1021/jp982875u]
  45. On the Electronic Structure of ScB+: Ground and Low-Lying Excited States
    A. Kalemos and A. Mavridis
    Adv. Quantum Chem. 32, 69-91 (1999)
    [PDF]
  46. A Theoretical Investigation of the Structure and Bonding of Diazomethane CH2N2
    A. Papakondylis and A. Mavridis
    J. Phys. Chem. A 103, 1255-1259 (1999)
    [PDF] [DOI: 10.1021/jp983403i]
  47. Ground and Low-Lying States of Vanadium Boride Cation VB+. An ab initio Investigation
    A. Kalemos and A. Mavridis
    J. Phys. Chem. A 103, 3336-3345 (1999)
    [PDF] [DOI: 10.1021/jp984614q]
  48. Electronic and Geometrical Structure of the Sc[BO]+ Cation. An Ab Initio Investigation
    A. Papakondylis and A. Mavridis
    J. Phys. Chem. A 103, 9359-9363 (1999)
    [PDF] [DOI: 10.1021/jp992585t]
  49. An accurate description of the ground and excited states of CH
    A. Kalemos, A. Mavridis, and A. Metropoulos
    J. Chem. Phys. 111, 9536-9548 (1999)
    [PDF] [DOI: 10.1063/1.480285]
  50. Ab Initio Investigation of the LiHe X 2Σ+, A 2Π, and B 2Σ+ States: A Basis Set Study
    I. S. K. Kerkines, A. Mavridis
    J. Phys. Chem. A, 104, 408-412 (2000)
    [PDF] [DOI: 10.1021/jp992824c]
  51. The electronic structure of ScAl+. Ground and Low-Lying excited states
    D. Tzeli and A. Mavridis
    J. Phys. Chem. A, 104, 6861-6870, (2000)
    [PDF] [DOI: 10.1021/jp000894+]
  52. A first principles study of the acetylene--water interaction
    D. Tzeli, A. Mavridis, and S. S. Xantheas
    J. Chem. Phys. 112, 6178-6189 (2000)
    [PDF] [DOI: 10.1063/1.481268]
  53. Electronic Structure of Scandium and Titanium Carbide Cations, ScC+ and TiC+. Ground and Low-Lying States
    I. S. K. Kerkines and A. Mavridis
    J. Phys. Chem. A 104, 11777-11785 (2000)
    [PDF] [DOI: 10.1021/jp002264d]
  54. Electronic structure determination of chromium boride cation, CrB+
    A. Kalemos and A. Mavridis
    J. Chem. Phys. 113, 2270-2281 (2000)
    [PDF] [DOI: 10.1063/1.482042]
  55. Predissociation lifetimes of the E 2Π and F 2Π states of CH
    A. Metropoulos and A. Mavridis
    Chem. Phys. Lett., 331, 89-94 (2000)
    [PDF] [DOI: 10.1016/S0009-2614(00)01156-8]
  56. Theoretical Investigation of Scandium Carbide, ScC
    A. Kalemos, A. Mavridis, and J. F. Harrison
    J. Phys. Chem. A 105, 755-759 (2001)
    [PDF] [DOI: 10.1021/jp003031p]
  57. First principles investigation of Boron and Aluminum Carbides, BC, AlC and their Anions, BC- and AlC-. 1
    D. Tzeli and A. Mavridis
    J. Phys. Chem. A, 105, 1175-1184 (2001)
    [PDF] [DOI: 10.1021/jp003258k]
  58. An Accurate Description of the LiNe X 2Σ+, A 2Π, and B 2Σ+ States
    I. S. K. Kerkines and A. Mavridis
    J. Phys. Chem. A 105, 1983-1987 (2001)
    [PDF] [DOI: 10.1021/jp003320d]
  59. Structure and Bonding of the Polytopic Molecule Li[BO]. A Theoretical Investigation
    A. Papakondylis and A. Mavridis
    J. Phys. Chem. A 105, 7106-7110 (2001)
    [PDF] [DOI: 10.1021/jp010832z]
  60. Accurate Theoretical Study of the Excited States of Boron and Aluminum Carbides, BC, AlC. 2
    D. Tzeli and A. Mavridis
    J. Phys. Chem. A, 105, 7672-7685 (2001)
    [PDF] [DOI: 10.1021/jp010459v]
  61. Conditions conducive to the chemi-ionization reaction O(3P) + CH(X 2Π,a 4Σ-) -> HCO+(X 1Σ+) + e-
    A. Metropoulos and A. Mavridis
    J. Chem. Phys. 115, 6946-6950 (2001)
    [PDF] [DOI: 10.1063/1.1405007]
  62. A molecular level study of the aqueous microsolvation of acetylene
    D. Tzeli, A. Mavridis and S. S. Xantheas
    Chem. Phys. Lett., 340, 538-546 (2001)
    [PDF] [DOI: 10.1016/S0009-2614(01)00444-4]
  63. A highly accurate first principles determination of the electron affinity of BO (X 2Σ+) and binding energy of BO- (X 1Σ+)
    A. Papakondylis and A. Mavridis
    Chem. Phys. Lett., 341, 382-386 (2001)
    [PDF] [DOI: 10.1016/S0009-2614(01)00496-1]
  64. Theoretical Investigation of Titanium Carbide, TiC: X3Σ+, a1Σ+, A3Δ, and b1Δ States
    A. Kalemos and A. Mavridis
    J. Phys. Chem. A 106, 3905-3908 (2002)
    [PDF] [DOI: 10.1021/jp0141225]
  65. Theoretical investigation of iron carbide, FeC
    D. Tzeli and A. Mavridis
    J. Chem. Phys. 116, 4901-4921 (2002)
    [PDF] [DOI: 10.1063/1.1450548]
  66. An accurate description of the ground and excited states of SiH
    A. Kalemos, A. Mavridis, and A. Metropoulos
    J. Chem. Phys. 116, 6529-6540 (2002)
    [PDF] [DOI: 10.1063/1.1461817]
  67. Theoretical investigation of the X 2Σ+, A 2Π, and B 2Σ+ states of LiAr and LiKr
    I. S. K. Kerkines and A. Mavridis
    J. Chem. Phys. 116, 9305-9314 (2002)
    [PDF] [DOI: 10.1063/1.1473809]
  68. On the Bonding Nature of the N5+(=N(N2)2+) Cation and Related Species N(CO)x+, N(NH3)x+, and NRx+, x = 1, 2 and R = He, Ne, Ar, Kr. Do We Really Need the Resonance Concept?
    I. S. K. Kerkines, A. Papakondylis, and A. Mavridis
    J. Phys. Chem. A 106, 4435-4442 (2002)
    [PDF] [DOI: 10.1021/jp014124p]
  69. First principles Examination of the Acetylene-Water clusters, HCCH-(H2O)x, x = 2, 3, and 4
    D.Tzeli, A. Mavridis and S. Xantheas
    J. Phys. Chem. A, 106, 11327-11337 (2002)
    [PDF] [DOI: 10.1021/jp021191q]
  70. On the ground states of CaC and ZnC: A multireference Brillouin-Wigner coupled cluster study
    I. S. K. Kerkines, J. Pittner, P. Carsky, A. Mavridis and I. Hubac
    J. Chem. Phys., 117, 9733-9739 (2002)
    [PDF] [DOI: 10.1063/1.1516809]
  71. On the dipole moment of the ground state X 3Δ of iron carbide, FeC
    D. Tzeli and A. Mavridis
    J. Chem. Phys., 118, 4984-4986 (2003)
    [PDF] [DOI: 10.1063/1.1545680]
  72. Electronic structure and bonding nature of the ground state monocarbide cations ScC+, TiC+, VC+, and CrC+
    I. S. S. Kerkines and A. Mavridis
    Collect. Czech. Chem. Commun. 68, 387 (2003) [invited article; special issue dedicated to I. Hubac and P. Carsky]
    [PDF] [DOI: 10.1135/cccc20030387]
  73. Electronic structure of linear TiCH
    A. Kalemos, T. H. Dunning, Jr., J. F. Harrison, and A. Mavridis
    J. Chem. Phys. 119, 3745-3750 (2003)
    [PDF] [DOI: 10.1063/1.1584425]
  74. Ab inition study of the ground and excited states of zinc carbide, ZnC
    A. Tsouloucha, I. S. K. Kerkines, and A. Mavridis
    J. Phys. Chem. A 107, 6062-6072 (2003)
    [PDF] [DOI: 10.1021/jp030319g]
  75. Ab initio investigation of the ground state properties of PO, PO+ and PO-
    A. Metropoulos, A. Papakondylis, and A. Mavridis
    J. Chem. Phys. 119, 5981-5987 (2003)
    [PDF] [DOI: 10.1063/1.1599341]
  76. Theoretical investigation of the electronic states of calcium carbide, CaC
    A. Papakondylis and A. Mavridis
    J. Phys. Chem. A 107, 7650-7655 (2003)
    [PDF] [DOI: 10.1021/jp0306444]
  77. On the symmetry breaking of BNB. Real or artifactual?
    A. Kalemos, T. H. Dunning, Jr., and A. Mavridis
    J. Chem. Phys. 120, 1813-1819 (2004)
    [PDF] [DOI: 10.1063/1.1635797] [Abstract]
  78. CH2 revisited
    A. Kalemos, T. H. Dunning, A. Mavridis and J. F. Harrison
    Can. J. Chem. 82, 684-693 (2004) [invited article; special issue dedicated to G. Herzberg]
    [PDF] [Abstract] [DOI: 10.1139/V04-045]
  79. Carbonyl Boron and Related Systems: An ab Initio Study of B-X and YB=BY (1Σg+), Where X = He, Ne, Ar, Kr, CO, CS, N2 and Y = Ar, Kr, CO, CS, N2
    A. Papakondylis, E. Miliordos, and A. Mavridis
    J. Phys. Chem. A 108, 4335-4340 (2004)
    [PDF] [DOI: 10.1021/jp031308q]
  80. Ab initio investigation of ground and low-lying states of the diatomic fluorides TiF, VF, CrF, and MnF
    K. Koukounas, S. Kardahakis, and A. Mavridis
    J. Chem. Phys. 120, 11500-11521 (2004)
    [PDF] [DOI: 10.1063/1.1738412 ]
  81. On the ground state of the titanium phospide, TiP. A theoretical investigation
    D. Tzeli and A. Mavridis
    J. Chem. Phys. 121, 2646 (2004)
    [PDF] [DOI: 10.1063/1.1768159]
  82. Ο ρόλος της συμμετρίας στην επιστήμη και την τέχνη
    Α. Μαυρίδης
    Φιλοσοφία και Θετικές Επιστήμες στον 20ο αιώνα, Έκδ. Ε.Ι.Ε., Επιστήμης Κοινωνία (2004)
  83. Electronic Structure of Vanadium and Chromium Carbide Cations, VC+ and CrC+. Ground and Low-Lying States
    I. S. K. Kerkines and A. Mavridis
    Mol. Phys. 102, 2451-2466 (2004) [invited article; special issue dedicated to N. Handy]
    [PDF] [DOI: 10.1080/0026897042000274964]
  84. SiH2, a critical study
    A. Kalemos, T. H. Dunning, Jr., and A. Mavridis
    Mol. Phys. 102, 2597-2606 (2004) [invited article; special issue dedicated to N. Handy]
    [PDF] [DOI: 10.1080/00268970412331293802]
  85. Theoretical Investigation of Organo-Noble Gas Compounds, HC(Ng)n+, n=1,2; Ng=He, Ne, Ar, Kr, and Xe. Evidence for Potentially Isolable HCArn+, HCKrn+, and HCXen+ Species
    A. Papakondylis, I. S. K. Kerkines, and A. Mavridis
    J. Phys. Chem. A 108, 11127-11131 (2004)
    [PDF] [DOI: 10.1021/jp0465534]
  86. The dipole moments of the excited states of FeC
    D. Tzeli and A. Mavridis
    J. Chem. Phys. 122, 056101 (2 pages) (2005)
    [PDF] [DOI: 10.1063/1.1834564]
  87. First principles study of the diatomic charged fluorides MF±, M = Sc, Ti, V, Cr, and Mn
    S. Kardahakis, C. Koukounas, and A. Mavridis
    J. Chem. Phys. 122, 054312 (22 pages) (2005)
    [PDF] [DOI: 10.1063/1.1834912]
  88. The Ground States of BeC and MgC: Comparative Multireference Brillouin-Wigner Coupled Cluster and Configurational Interaction Study
    V. I. Teberekidis, I. S. K. Kerkines, P. Carsky, C. A. Tsipis, and A. Mavridis
    Inter. J. Quantum Chem. 102, 762-774 (2005) [invited article; special issue dedicated to J. A. Pople]
    [PDF] [DOI: 10.1002/qua.20379]
  89. Multireference configuration interaction and coupled cluster calculations on the X3Σ-, a1Δ, and b1Σ+ states of the NF molecule.
    S. Kardahakis, J. Pittner, P. Carsky, and A. Mavridis
    Inter. J. Quantum Chem. 104, 458-467 (2005)
    [PDF] [DOI: 10.1002/qua.20618]
  90. The CH (X2Π, a4Σ-)...OH2 and CH2 (X3B1, a1A1)...OH2 interactions. A first principles investigation.
    D. Tzeli and A. Mavridis
    Inter. J. Quantum Chem. 104, 497-511 (2005)
    [PDF] [DOI: 10.1002/qua.20637]
  91. Ab Initio Investigation of the Electronic Structure and Bonding of the HC(N2)x+ and HC(CO)x+ Cations, x=1, 2.
    A. Papakondylis and A. Mavridis
    J. Phys. Chem. A 109, 6549-6554 (2005)
    [PDF] [DOI: 10.1021/jp0580975]
  92. The electronic structure of vanadium carbide, VC
    A. Kalemos, T. H. Dunning, Jr., and A. Mavridis
    J. Chem. Phys. 123, 014301 (8 pages) (2005)
    [PDF] [DOI: 10.1063/1.1926228]
  93. First principles investigation of chromium carbide, CrC
    A. Kalemos, T. H. Dunning, Jr., and A. Mavridis
    J. Chem. Phys. 123, 014302 (8 pages) (2005)
    [PDF] [DOI: 10.1063/1.1926247]
  94. Electronic and geometric structure of the 3d-transition metal monocarbonyls MCO, M=Sc, Ti, V, and Cr
    C. Koukounas, S. Kardahakis, and A. Mavridis
    J. Chem. Phys. 123, 074327 (14 pages) (2005)
    [PDF] [DOI: 10.1063/1.1949199]
  95. On the electron affinity of SiN and spectroscopic constants of SiN-
    I. S. K. Kerkines and A. Mavridis
    J. Chem. Phys. 123, 124301 (6 pages) (2005)
    [PDF] [DOI: 10.1063/1.2035591 ]
  96. Theoretical investigation of the iron carbide cation, FeC+
    D. Tzeli and A. Mavridis
    J. Phys. Chem. A 109, 9249-9258 (2005)
    [PDF] [DOI: 10.1021/jp040765j]
  97. A Multireference Coupled-Cluster Potential Energy Surface of Diazomethane, CH2N2
    I. S. K. Kerkines, P. Carsky, and A. Mavridis
    J. Phys. Chem. A 109, 10148-10152 (2005)
    [PDF] [DOI: 10.1021/jp054530z]
  98. Ab initio Investigation of the Electronic and Geometric Structure of Magnesium Diboride, MgB2
    D. Tzeli and A. Mavridis
    J. Phys. Chem. A 109 10663-10674 (2005)
    [PDF] [DOI: 10.1021/jp058172b]
  99. The interaction of the early 3d-transition metals Sc, Ti, V, and Cr with N2. An ab initio study
    S. Kardahakis, C. Koukounas, and A. Mavridis
    J. Chem. Phys. 124, 104306 (13 pages) (2006)
    [PDF] [DOI: 10.1063/1.2174000]
  100. Ab initio study of the electronic structure of manganese carbide, MnC.
    A. Kalemos, T. H. Dunning, Jr., and A. Mavridis
    J. Chem. Phys. 124, 154308 (2006)
    [PDF] [DOI: 10.1063/1.2181972]
    Letter to the American Journal of Physics. "1937 Nobel Prize"
    A. Mavridis
    Am. J. Phys. 74, 353 (2006)
    [PDF] [DOI: 10.1119/1.2166374]
  101. The electronic structure of cobalt carbide, CoC
    D. Tzeli and A. Mavridis
    J. Phys. Chem. A 110, 8952-8962 (2006)
    [PDF] [DOI: 10.1021/jp062357g]
  102. Structure and energetics of gaseous HZnCl
    I. S. K. Kerkines, A. Mavridis and P. A. Karipidis
    J. Phys. Chem. A 110, 10899-10903 (2006)
    [PDF] [DOI: 10.1021/jp062801f]
  103. A Theoretical Study of Calcium Monohydride, CaH: Low-Lying States and Their Permanent Electric Dipole Moments
    I. S. K. Kerkines and A. Mavridis
    J. Phys. Chem. A 111, 371-374 (2007)
    [PDF] [DOI: 10.1021/jp064705k]
  104. The Electronic Structure of Vanadium Oxide. Neutral and Charged Species, VO0,+-
    E. Miliordos and A. Mavridis
    J. Phys. Chem. A 111, 1953-1965 (2007)
    [PDF] [DOI: 10.1021/jp067451b]
  105. Theoretical investigation of the ground and low-lying excited states of Nickel Carbide, NiC
    D. Tzeli and A. Mavridis
    J. Chem. Phys. 126, 194304 (12 pages) (2007)
    [PDF] [DOI: 10.1063/1.2723114]
  106. All Electron First Principles Calculations of the Ground and Some Low-Lying Excited States of BaI
    E. Miliordos, A. Papakondylis, A. A. Tsekouras, and A. Mavridis
    J. Phys. Chem. A 111, 10002-10009 (2007)
    [PDF] [DOI: 10.1021/jp0745788]
  107. Ab initio Study of the Electronic Structure and Bonding of Aluminum Nitride, AlN
    A. Kalemos and A. Mavridis
    J. Phys. Chem. A 111, 11221-11231 (2007) [invited paper; special issue dedicated to T. H. Dunning, Jr.]
    [PDF] [DOI: 10.1021/jp070544o]
  108. Electronic structure and bonding of the 3d-transition metal borides, MB, M = Sc, Ti, V, Cr, Mn, Fe, Co, Ni, and Cu through all electron ab initio calculations
    D. Tzeli and A. Mavridis
    J. Chem. Phys. 128, 034309 (14 pages) (2008)
    [PDF] [10.1063/1.2821104]
  109. Ab initio investigation of the electronic structure and bonding of BH, BH-, and HBBH molecules
    E. Miliordos and A. Mavridis
    J. Chem. Phys. 128, 144308 (15 pages) (2008)
    [PDF] [DOI: 10.1063/1.2902284]
  110. Interaction of Dioxygen with Al Clusters and Al(111): A Comparative Theoretical Study
    C. Mosch, C. Koukounas, N. Bacalis, A. Metropoulos, A. Gross, and A. Mavridis
    J. Phys. Chem. C 112, 6924-6932 (2008)
    [PDF] [DOI: 10.1021/jp711991b]
  111. Electronic structure and bonding of ozone
    A. Kalemos and A. Mavridis
    J. Chem. Phys. 129, 054312 (8 pages) (2008)
    [PDF] [DOI: 10.1063/1.2960629]
  112. First principles study of the electronic structure and bonding of Mn2
    D. Tzeli, U. Miranda, I. G. Kaplan, and A. Mavridis
    J. Chem. Phys. 129, 154310 (2008)
    [PDF] [DOI: 10.1063/1.2993750]
  113. Ab initio study of the Diatomic Fluorides FeF, CoF, NiF, and CuF
    C. Koukounas and A. Mavridis
    J. Phys. Chem. A 112, 11235-11250 (2008)
    [PDF] [DOI: 10.1021/jp805034w]
  114. The electronic structure of the two lowest states of CuC
    A. Kalemos, T. H. Dunning, Jr., and A. Mavridis
    J. Chem. Phys. 129, 174306 (4 pages) (2008)
    [PDF] [DOI: 10.1063/1.3005651]
  115. The electronic structure and bonding of AlNAl
    A. Kalemos and A. Mavridis
    J. Chem. Phys. 130, 154308 (6 pages) (2009)
    [PDF] [DOI: 10.1063/1.3106614]
  116. First Principles Investigation of the Early 3d-Transition Metal Diatomic Chlorides and Their Ions, ScCl0,±, TiCl0,±, VCl0,±, and CrCl0,±
    S. Kardahakis and A. Mavridis
    J. Phys. Chem. A 113, 6818-6840 (2009)
    [PDF] [DOI: 10.1021/jp901225y]
  117. Bonding Elucidation of the Three Common Acids H2SO4, HNO3, and HClO4
    A. Kalemos and A. Mavridis
    J. Phys. Chem. A 113, 13972-13975 (2009)
    [PDF] [DOI: 10.1021/jp906294d]
  118. The Sc2 molecule revisited
    A. Kalemos, I. G. Kaplan, and A. Mavridis
    J. Chem. Phys. 132, 024309 (8 pages) (2010)
    [PDF] [DOI: 10.1063/1.3290951]
  119. An accurate first principles study of the geometric and electronic structure of B2, B2-, B3, B3-, and B3H. Ground and excited states
    E. Miliordos and A. Mavridis
    J. Chem. Phys. 132, 164307 (16 pages) (2010)
    [PDF] [DOI: 10.1063/1.3389133]
  120. Accurate ab initio calculations of the ground states of FeC, FeC+, and FeC-
    D. Tzeli and A. Mavridis
    J. Chem. Phys. 132, 194312 (4 pages) (2010)
    [PDF] [DOI: 10.1063/1.3429612]
  121. Electronic Structure and Bonding of the Early 3d-Transition Metal Diatomic Oxides and Their Ions: ScO0,±, TiO0,±, CrO0,±, and MnO0,±
    E. Miliordos and A. Mavridis
    J. Phys. Chem. A 114, 8536-8572 (2010)
    [PDF] [DOI: 10.1021/jp910218u]
  122. Electronic spectroscopy and electronic structure of diatomic CrC
    D. J. Brugh, M. D. Morse, A. Kalemos, and A. Mavridis
    J. Chem. Phys. 133, 034303 (8 pages) (2010)
    [PDF] [DOI: 10.1063/1.3456178]
  123. Ab initio Study of the Electronic Strucuture of Zinc Oxide and its Ions, ZnO0,±. Ground and Excited States
    C. N. Sakellaris, A. Papakondylis, and A. Mavridis
    J. Phys. Chem. A 114, 9333-9341 (2010)
    [PDF] [DOI: 10.1021/jp104764d]
  124. Myths and Reality of Hypervalent Molecules. The Electronic Structure of FClOx, x = 1-3, Cl3PO, Cl3PCH2, Cl3CClO, and C(ClO)4
    A. Kalemos and A. Mavridis
    J. Phys. Chem. A 115, 2378-2384 (2011)
    [PDF] [DOI: 10.1021/jp111330y]
  125. Li atoms attached to helium nanodroplets
    A. Hernando, R. Mayol, M. Pi, M. Barranco, I. S. K. Kerkines, and A. Mavridis
    Int. J. Quantum Chem. 111, 400-405 (2011)
    [PDF] [DOI: 10.1002/qua.22636]
  126. First principles study of the ground and excited states of FeO, FeO+, and FeO-
    C. N. Sakellaris, E. Miliordos, and A. Mavridis
    J. Chem. Phys. 134, 234308 (16 pages) (2011)
    [PDF] [DOI: 10.1063/1.3598529]
  127. The electronic structure of Ti2 and Ti2+
    A. Kalemos and A. Mavridis
    J. Chem. Phys. 135, 134302 (8 pages) (2011)
    [PDF] [DOI: 10.1063/1.3643380]
  128. Structure and bonding of ScCN and ScNC: Ground and low-lying states
    A. Kalemos, A. Metropoulos and A. Mavridis
    Chem. Phys. 399, 46-49 (2012) [invited paper; special issue dedicated to Gerardo Delgado-Barrio]
    [PDF] [DOI: 10.1016/j.chemphys.2011.05.008]
  129. Electronic Structure and Bonding of Cobalt Monoxide, CoO, and Its Ions CoO+ and CoO-: An Ab Initio Study
    C. N. Sakellaris and A. Mavridis
    I. Phys. Chem. A 116, 6935-6949 (2012)
    [PDF] [DOI: 10.1021/jp303906s]
  130. First principles study of cobalt hydride, CoH, and its ions CoH+ and CoH-
    C. N. Sakellaris and A. Mavridis
    J. Chem. Phys. 137, 034309 (13 pages) (2012)
    [PDF] [DOI: 10.1063/1.4734595]
  131. Electronic spectroscopy and electronic structure of diatomic TiFe
    O. Krechkivska, M. D. Morse, A. Kalemos, and A. Mavridis
    J. Chem. Phys. 137, 054302 (12 pages) (2012)
    [PDF] [DOI: 10.1063/1.4738958]
  132. First principles exploration of NiO and its ions NiO+ and NiO-
    C. N. Sakellaris and A. Mavridis
    J. Chem. Phys. 138, 0504308 (15 pages) (2013)
    [PDF] [DOI: 10.1063/1.4789416]
  133. An ab initio study of the electronic structure of BF and BF+
    I. Magoulas, A. Kalemos, and A. Mavridis
    J. Chem. Phys. 138, 104312 (12 pages) (2013)
    [DOI: 10.1063/1.4793738] [PDF]
  134. All electron ab initio calculations on the ScTi molecule: a really hard nut to crack
    A. Kalemos and A. Mavridis
    Theor. Chem. Acc. 132, 1408-1416 (2013) [Invited publication: "Dedicated to Professor Th. H. Dunning, Jr. and published as a part of the special of articles celebrating his career upon his retairment"]
    [DOI: 10.1007/s00214-013-1408-y] [PDF]
  135. Accurate first principles calculations on chlorine fluoride ClF and its ions ClF+/-
    A. A. Vassilakis, A. Kalemos and A. Mavridis
    Theor. Chem. Acc. 133, 1436-1450 (2014) [Invited publication: "Dedicated to Professor Th. H. Dunning, Jr. and published as a part of the special of articles celebrating his career upon his retairment"]
    [DOI: 10.1007/s00214-013-1436-7] [PDF]
  136. Accurate structural parameters and binding energy of the X-tilde 1A1 state of diazomethane through coupled-cluster calculations
    A. Papakondylis and A. Mavridis
    Chem. Phys. Lett. 600, 103-105 (2014)
    [DOI: 10.1016/j.cplett.2014.03.058] [PDF]
  137. Accurate ab Initio Structural Parameters of the Diatomic and Triatomic van der Waals Molecules 11BNg (X2Π, A2Σ+) and 11BNg2 (X-tilde2B1), Ng = 4He, 20Ne, 40Ar, 84Kr, and 132Xe
    I. Magoulas, A. Papakondylis, and A. Mavridis
    J. Phys. Chem. A 118, 3990-3995 (2014)
    [DOI: 10.1021/jp5027288] [PDF]
  138. Structural parameters of the ground states of the quasi-stable anions CO-, BF-, and BCl- as obtained by conventional ab initio methods
    I. Magoulas, A. Papakondylis and A. Mavridis
    Int. J. Quant. Chem. 115, 771-778 (2015)
    [DOI: 10.1002/qua.24899] [PDF]
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