Fedor Naumkin (Theoretical Chemistry/Chemical Physics)

F. Y. Naumkin

List of Publications

(In chronological order)


  1. Karelin A. V., Sereda O. V., Kharitonov V.V., Chikin K. R., Naumkin F. Yu.
    Gas heating by fission fragments
    Soviet Atomic Energy (USA), 61 (1986) 551-555.

  2. Abarenov A. V., Naumkin F. Yu., Pevgov V. G.
    Study of Ne3* molecule potentials by the diatomics-in-molecules method
    Soviet Physics - Lebedev Institute Reports (USA), 7 (1989) 9-12.

  3. Naumkin F. Yu., Pevgov V. G.
    Electronic states of triatomic rare gas excimer molecules
    Soviet Physics - Lebedev Institute Reports (USA), 9 (1989) 64-67.

  4. Naumkin F. Yu., Pevgov V. G.
    Application of the DIM method to calculation of R3+ (R = Ne - Xe) triatomic ion potentials
    Soviet Physics - Lebedev Institute Reports (USA), 10 (1989) 4-7.

  5. Naumkin F. Yu.
    Photoabsorption by triatomic rare gas ions
    Soviet Physics - Lebedev Institute Reports (USA), 8 (1991) 22-26.

  6. Naumkin F. Yu.
    Matrix elements calculation within the diatomics-in-molecules method
    Soviet Physics - Lebedev Institute Reports (USA), 8 (1991) 27-31.

  7. Naumkin F. Yu.
    Analytic solution for R'RX* molecule potentials
    Soviet Physics - Lebedev Institute Reports (USA), 8 (1991) 42-45.

  8. Naumkin F. Yu.
    Radiative transition moments of R3* (R = Ne, Ar, Kr)
    Bulletin of Lebedev Physical Institute (USA), 9 (1992) 11-14.

  9. Naumkin F. Yu.
    Emission of Ne3*, Ar3*, Kr3* molecules
    Bulletin of Lebedev Physical Institute (USA), 9 (1992) 19-24.

  10. Abarenov A. V., Naumkin F. Yu., Pevgov V. G.
    Modification of the diatomics-in-molecules method for calculation of large molecules consisting of atoms with one external s-electron
    (brief version)
    Bulletin of Lebedev Physical Institute (USA), 9 (1992) 15-18.

  11. Abarenov A. V., Naumkin F. Yu., Pevgov V. G.
    Modification of the diatomics-in-molecules method for calculation of large molecules consisting of atoms with one external s-electron
    (full version)
    General Physics Institute Proceedings (Russia), 42 (1993) 131-135.

  12. Naumkin F. Yu., Pevgov V. G.
    Energies, transition moments, and photoprocess cross sections of R3+ and R3* triatomic rare gas molecules
    General Physics Institute Proceedings (Russia), 42 (1993) 92-119.

  13. Abarenov A. V., Naumkin F. Yu., Pevgov V. G.
    Classical trajectory modelling of vibrational relaxation of XeCl* molecule on Ar atom
    General Physics Institute Proceedings (Russia), 42 (1993) 120-130.

  14. F. Y. Naumkin, P. J. Knowles, and J. N. Murrell
    Towards reliable modelling of large clusters: On the overall accuracy of the diatomics-in-molecule method for rare gas cluster ions
    Chemical Physics 193 (1995) 27-36. [Abstract] [Full paper]

  15. M. J. O. Deegan, M. Stumpf, P. J. Knowles, and F. Y. Naumkin
    The equilibrium structure of Ar3+
    Unpublished (1995).

  16. F. Y. Naumkin and P. J. Knowles
    On the adequacy of pairwise additive potentials for rare gas - halogen systems:
    The effect of anisotropy of interactions between atoms
    Journal of Chemical Physics 103 (1995) 3392-3399. [Abstract] [Full paper]

  17. F. Y. Naumkin and P. J. Knowles
    In a quantum-mechanical way to many-atom system potentials from diatomic interactions:
    A valence-bond-like model for RgO2 complexes
    Unpublished (1996).

  18. F. Y. Naumkin and P. J. Knowles
    Combined empirical - model - ab initio potentials for complexes of rare gas atoms with diatomic molecules
    In: Femtochemistry - Ultrafast Chemical and Physical Processes in Molecular Systems, Ed. M. Chergui, World Scientific, 1996, p. 94-98.

  19. F. Y. Naumkin and H.-J. Werner
    Is it time for triatomics-in-molecule approaches? Transferring 3-body interactions from ArF2 to ArnF2
    Unpublished (1996).

  20. F. Y. Naumkin
    The ArClF van der Waals complex as an example of how atoms inside a molecule interact with those outside
    Chemical Physics 213 (1996) 33-44.     [Abstract] [Full paper]

  21. F. Y. Naumkin
    Molecular versus atom-atom interaction anisotropy in the case of the Ar-N2 van der Waals system
    Molecular Physics 90 (1997) 875-888.     [Abstract] [Full paper]

  22. F. Y. Naumkin and F. R. W. McCourt
    A nontypical atom-diatom van der Waals interaction: Ar-C2
    Journal of Chemical Physics 107 (1997) 1185-1194.     [Abstract] [Full paper]

  23. F. Y. Naumkin and F. R. W. McCourt
    A study of the ArCl2 van der Waals complex:
    Ab initio-based potential energy surfaces, the relative stability of conformers, and the "hidden" microwave spectrum.
    Journal of Chemical Physics 107 (1997) 5702-5713.     [Abstract] [Full paper]

  24. F. Y. Naumkin
    Single- versus multi-state DIM model for RgX2 systems: On the influence of spin-orbit coupling on Ar-I2 potentials
    Chemical Physics 226 (1998) 319-335; 230 (1998) 345.     [Abstract] [Full paper, Erratum]

  25. F. Y. Naumkin and D. J. Wales
    Structure and properties of Nen+ clusters
    Molecular Physics 93 (1998) 633-648.     [Abstract] [Full paper]

  26. F. Y. Naumkin and F. R. W. McCourt
    Contributions of the two conformers to the microwave spectrum and scattering cross section of the He-Cl2 van der Waals system, evaluated from an ab initio potential energy surface
    Journal of Chemical Physics 108 (1998) 9301-9312.     [Abstract] [Full paper]

  27. F. Y. Naumkin and D. J. Wales
    Influence of the atom-atom interaction anisotropy on the structure and stability of ArnCl2 clusters
    Chemical Physics Letters 290 (1998) 164-170.     [Abstract] [Full paper]

  28. F. Y. Naumkin and F. R. W. McCourt
    Ab initio-based potential energy surfaces, microwave spectrum, and scattering cross section of the ground state Ne-Cl2 system
    Journal of Chemical Physics 109 (1998) 1271-1284.     [Abstract] [Full paper]

  29. F. Y. Naumkin and F. R. W. McCourt
    On the influence of rare gas atom - chlorine ion potentials on the ground state Rg-Cl2 interaction
    Chemical Physics Letters 292 (1998) 63-70.     [Abstract] [Full paper]

  30. F. Y. Naumkin and F. R. W. McCourt
    Ab initio-based potential energy surfaces and predicted microwave spectra of the Ar-I2(X 1g+) Van der Waals complex
    Chemical Physics Letters 294 (1998) 71-78.     [Abstract] [Full paper]

  31. W. Jäger, Y. Xu, G. Armstrong, M. C. L. Gerry, F. Y. Naumkin, F. Wang, and F. R. W. McCourt
    Microwave spectra of NeN2 van der Waals complex: Experiment and theory
    Journal of Chemical Physics 109 (1998) 5420-5432. [Abstract] [Full paper]

  32. F. Y. Naumkin
    DIM models for RgX2- systems: Suppressed influence of spin-orbit coupling and induced multipole effects for the Ar-I2- interaction
    Chemical Physics 240 (1999) 79-92.     [Abstract] [Full paper]

  33. N. L. Doltsinis, P. J. Knowles, and F. Y. Naumkin
    Induced dipole - induced dipole interactions in Arn+ clusters
    Molecular Physics 96 (1999) 749-755.     [Abstract] [Full paper]

  34. F. Y. Naumkin and F. R. W. McCourt
    Is the Ar-Br2(X 1g+) Van der Waals complex linear rather than T-shaped?
    A study in terms of ab initio-based potential energy surfaces.
    Molecular Physics 96 (1999) 1043-1049.     [Abstract] [Full paper]

  35. F. Y. Naumkin and D. J. Wales
    Rydberg excitations in rare gas atomic clusters: Structure and electronic spectra of Arn* (3n25)
    Molecular Physics 96 (1999) 1295-1304.     [Abstract] [Full paper]

  36. F. Y. Naumkin
    An ``electrons-in-molecule'' model for atom-atom representation of atom-molecule potentials,
    with application to the Ar-B2(X 3g-) complex.
    Physical Chemistry Chemical Physics 1 (1999) 3949-3954.     [Abstract] [Full paper]

  37. J. B. Giorgi, T. G. Lee, A. J. Hudson, F. Y. Naumkin, H. B. Oh, P. Piecuch, and J. C. Polanyi
    Harpooning studied by transition state spectroscopy, M···XR + h [M*···XR] [M+···XR-] products
    (X = F, Cl, Br; R = H or CH3)
    Abstracts of Papers of the American Chemical Society 218 (1999) 388-PHYS Part 2.

  38. F. Y. Naumkin and D. J. Wales
    Molecule-doped rare gas clusters: Structure and stability of ArnNO (X 21/2, 3/2), n25,
    from new ab initio potential energy surfaces of ArNO
    Molecular Physics 98 (2000) 219-229.     [Abstract] [Full paper]

  39. F. Y. Naumkin
    Transition intensities in rare gas triatomic ions: DIM versus point-charge approximation
    Chemical Physics 252 (2000) 301-314. [Abstract] [Full paper]

  40. J. B. Giorgi, F. Y. Naumkin, J. C. Polanyi, S. A. Raspopov, and N. S.-K. Sze
    Surface aligned photochemistry: Photodissociation of Cl2 and Cl2···Cl adsorbed on LiF (001) surface
    Journal of Chemical Physics 112 (2000) 9569-9581. [Abstract] [Full paper, html]

  41. J. B. Giorgi, T. G. Lee, A. J. Hudson, F. Y. Naumkin, H. B. Oh, P. Piecuch, and J. C. Polanyi
    Harpooning studied by transition state spectroscopy, M···XR + h [M*···XR] [M+···XR-] products:
    Results for M = Li, X = F, R = CH3 or H
    Abstracts of Papers of the American Chemical Society 219 (2000) 053-COMP Part 1.

  42. J. B. Giorgi, T. G. Lee, F. Y. Naumkin, J. C. Polanyi, S. A. Raspopov, and J. Wang
    Photoinduced charge-transfer reaction at surfaces:
    (HCl)mNan /LiF(001) + h(640 nm) (HCl)m-1Cl Nan /LiF(001) + H(g)
    Faraday Discussions 117 (2000) 85-97. [Abstract] [Full paper, html]

  43. J. N. Murrell, F. Y. Naumkin, and C. R. Griffiths
    The structures and stabilities of mixed inert gas cluster ions: NeHen+ and ArHen+
    Molecular Physics 99 (2001) 115-132.     [Abstract] [Full paper]

  44. F. Y. Naumkin
    Binding in the Ar-I2(X 1g+) complex: A challenge for theory and experiment
    ChemPhysChem  2 (2001) 121-125 [@ Angewandte Chemie 40 (2001) No. 4].     [Abstract] [Full paper, html]

  45. A. J. Hudson, F. Y. Naumkin, H. B. Oh, J. C. Polanyi, and S. A. Raspopov
    Dynamics of harpooning studied by transition state spectroscopy: III. Li-FCH3
    Faraday Discussions 118 (2001) 191-207. [Abstract] [Full paper, html]

  46. F. Y. Naumkin and D. J. Wales
    Diatomics-in-molecules potentials incorporating ab initio data:
    Application to ionic, Rydberg-excited, and molecule-doped rare gas clusters
    Computer Physics Communications 145 (2002) 141-155.     [Abstract] [Full paper]

  47. S. A. Raspopov, N. S. K. Sze, F. Y. Naumkin, J. B. Giorgi, and J. C. Polanyi
    Photoinduced dynamics of Cl3 radical-molecule complex prepared and studied at LiF(001) surface
    Abstracts of Papers of the American Chemical Society 223 (2002) 093-PHYS Part 2.

  48. S. A. Dobrin, J. B. Giorgi, T. G. Lee, H. He, F. Y. Naumkin, J. C. Polanyi, S. A. Raspopov, and J. Wang
    Dynamics of photoinduced charge-transfer reactions at surfaces:
    Hydrogen halides on sodium clusters preadsorbed on LiF(001).
    Abstracts of Papers of the American Chemical Society 224 (2002) 280-COLL Part 1.

  49. S. Dobrin, H. He, F. Y. Naumkin, J. C. Polanyi, and S. A. Raspopov
    Photoinduced charge-transfer reaction at surfaces.
    Part II. HBr··Nan /LiF(001) + h(610 nm) Br-Nan+/LiF(001) + H(g)
    Journal of Chemical Physics 119 (2003) 9795-9803.     [Abstract] [Full paper, html]

  50. F. Y. Naumkin, J. C. Polanyi, D. Rogers, W. Hofer, and A. Fisher
    Electron-induced attachment of chlorinated benzenes to Si(100)2x1
    Surface Science 547 (2003) 324-334. [Abstract] [Full paper, html]

  51. F. Y. Naumkin, J. C. Polanyi, and D. Rogers
    Reaction of chlorinated benzenes with Si(100)2x1: a theoretical study
    Surface Science 547 (2003) 335-348.     [Abstract] [Full paper, html]

  52. G.-P. Jiang, X. K. Lu, C. Matta, F. Y. Naumkin, I. Petsalakis, J. C. Polanyi, H. Rajamma, D. Rogers, G. Theodorakopoulos, and J. Yang
    Thermal, photo-induced and electron-induced reaction of adsorbates on Si, followed by STM
    Abstracts of Papers of the American Chemical Society 226 (2003) 248-COLL Part 1.

  53. F. Y. Naumkin and F. R. W. McCourt
    Ab initio-based PES extrapolated using transferable atom-atom potentials, and predicted MW spectrum of the Ar-O2(X 3g-) complex
    Molecular Physics 102 (2004) 37-45.     [Abstract] [Full paper, html]

  54. S. Dobrin, J. B. Giorgi, F. Y. Naumkin, and J. C. Polanyi
    Photoinduced charge-transfer reaction at surfaces:
    III. (HF)m··Nan /LiF(001) + h(640 nm) (HF)m-1F-Nan+/LiF(001) + H(g)
    Submitted.

  55. X. Lu, F. Y. Naumkin, J. C. Polanyi, and J. Yang
    Photoimprinting Br atoms at Si(111) from self-assembled monolayer of CH3Br(ad), with pattern retention
    To be submitted.

  56. and more in preparation...