ΠΠ΅ΠΎΠΌΠ΅ΡΡΠΈΡΠ΅ΡΠΊΠ°Ρ ΠΈ ΡΠ»Π΅ΠΊΡΡΠΎΠ½Π½Π°Ρ ΡΡΡΡΠΊΡΡΡΠ° Π½Π°Π½ΠΎΠΊΠ»Π°ΡΡΠ΅ΡΠΎΠ² Π½Π΅ΠΊΠΎΡΠΎΡΡΡ ΠΌΠ΅ΡΠ°Π»Π»ΠΎΠ² ΠΈ ΠΏΠΎΠ»ΡΠΏΡΠΎΠ²ΠΎΠ΄Π½ΠΈΠΊΠΎΠ²ΡΡ Π½Π°Π½ΠΎΡΠ°ΡΡΠΈΡ
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- Rehr, J.J. Theoretical approaches to x-ray absorption fine structure/ J.J. Rehr. R.C. Albers // Review of Modern Physics. 2000. — V. 72. — N.3. — P. 621−654.
- Bickelhaupt, F.M. Kohn-Sham Density Functional Theory: Predicting and Understanding Chemistry / F.M. Bickelhaupt, E.J. Baerends // Rev. in Computat. Chem. -2000.-V.15.-P. 1−86.
- Thundat, T. Scanning tunnelling microscopy studies of semiconductor electrochemistry / T. Thundat, L.A. Nagahara, S. M. Lindsay // J. Vac. Sei. Technol. A -1990. V.8. -N.l. -P.539—543.
- Jortner, J. Cluster size effects / J. Jortner // Z. Phys. D: At., Mol., Clusters 1992. -V. 24.-P. 247−275.
- Brechignac, C. Alkali Metal Clusters. In: Clusters of Atoms and Molecules I: Theory, Experiment and Clusters of Atoms / C. Brechignac // Springer Series in Chemical Physics, 1994. -V. 52. P. 255−261.
- Kappes, M.M. Experimental studies of gas-phase main-group metal clusters / M.M. Kappes // Chem. Rev. 1988. — V. 88. — P. 369−389.
- Martin, T.P. Shell structure of clusters / T.P. Martin, T. Bergmann, H. Gohlich, Π’. Lange, // J. Phys. Chem. 1991. — V. 95. — P. 6421−6429.
- Knight, W.D. Electronic Shell Structure and Abundances of Sodium Clusters / W.D. Knight, K. Clemenger, W.A. de Heer, W.A. Saunders, M.Y. Chou, M.L. Cohen // Phys. Rev. Lett. 1984. -V. 52. — P. 2141−2143.
- Rayane, D. Close-packing structure of small barium clusters / D. Rayane, P. Melinon, B. Cabaud, A. Hoareau, B. Tribollet, M. Broyer // Phys. Rev. A. 1989. — V. 39.-P. 6056−6059.
- Martin, T.P. Evidence for a size-dependent melting of sodium clusters / T.P. Martin, U. Naher, H. Schaber, U. Zimmermann // J. Chem. Phys 1994. — V. 100. — P. 23 222 324.
- Pedersen, J. Observation of quantum supershells in clusters of sodium atoms / J. Pedersen, S. Bjornholm, J. Borggreen, K. Hansen, T.P. Martin, H. D Rasmussen //Nature. — 1991. V. 353.-P. 733−735.
- Baguenard, B. Competition between atomic shell and electronic shell structures in aluminum clusters / B. Baguenard, M. Pellarin, J. Lerme, J.L. Vialle, M. Broyer // J. Chem. Phys. 1994. — V. 100. — P. 754−755.
- Lerme, J. Electronic shells and supershells in gallium and aluminum clusters / J. Lerme, M. Pellarin, B. Baguenard, Bordas, C., Cottancin, E., Vialle, J.L., Broyer, M. // In: Large clusters of atoms and molecules. Dordrecht: Kluwer. — 1996. — P. 71−85.
- Pimpinell, A. Physics of Crystal Growth / A. Pimpinell, J. Villain. Cambridge: Cambridge University, 1998. -400 pp.
- Raoult, B. Comparison between icosahedral, decahedral and crystalline Lennard-Jones models containing 500 to 6000 atoms/ B. Raoult, J. Farges, M.F. de Feraudy, G. Torchet // Philos. Mag. B.- 1989. V. 60. — P. 881−906.
- Cleveland, C.L. The energetics and structure of nickel clusters: Size dependence / C.L. Cleveland, U. Landman // J. Chem. Phys. 1991. — V. 94. — P. 7376−7390.
- Valkealahti, S. Diffusion on aluminum-cluster surfaces and the cluster growth / S. Valkealahti, M. Manninen // Phys. Rev. B. 1998. — V. 57. — P. 15 533−15 540.
- Baletto, F. Freezing of silver nanodroplets / F. Baletto, C. Mottct, R. Ferrando // Chem. Phys. Lett. 2002. — V. 354. — P. 82−87.
- Mackay, A.L. A dense non-crystallographic packing of equal spheres / A.L. Mackay // Acta Crystallogr. 1962. — V. 15. — P. 916−918.
- Martin, T.P. Shells of atoms / T.P. Martin D Phys. Rep. 1996. — V. 273. — P. 199 241.
- Marks, L.D. Surface structure and energetics of multiply twinned particles / L.D. Marks // Philos. Mag. A. 1984. — V. 49. — P. 81−93.
- Marks, L.D. Experimental studies of small particle structures / L.D. Marks // Rep. Prog. Phys. 1994. -V. 57. -N.6. — P. 603−649.
- Reinhard, D. Size-Dependent Icosahedral-to-fcc Structure Change Confirmed in Unsupported Nanometer-Sized Copper Clusters / D. Reinhard, B.D. Hall, P. Berthoud, S. Valkealahti, R. Monot // Phys. Rev. Lett. 1997. -V. 79. — P. 1459−1462.
- Reinhard, D. Unsupported nanometer-sized copper clusters studied by electron diffraction and molecular dynamics / D. Reinhard, B.D. Hall, P. Berthoud, S. Valkealahti, R. Monot //Phys. Rev. B. 1998. -V. 58. — P. 4917^1926.
- Raoult, B. Stability of relaxed Lennard-Jones models made of 500 to 6000 atoms / B. Raoult, J. Farges, M.F. de Feraudy, G. Torchet // Z. Phys. D: At. Mol. Clusters. 1989. -V. 12.-P. 85−87.
- Cleveland, C.L. The energetics and structure of nickel clusters: Size dependence / C.L. Cleveland, U.J. Landman // J Chem. Phys. 1991. — V. 94. — P. 7376−7396.
- Uppenbrink, J. Structure and energetics of model metal clusters / J. Uppenbrink, D.J. Wales // J. Chem. Phys. 1992. -V. 96. — P. 8520−8534.
- Turner, G.W. Investigation of geometric shell aluminum clusters using the Gupta many-body potential / G.W. Turner, R.L. Johnston, N.T. Wilson // J. Chem. Phys.2000. V. 112. — P. 4773−4778.
- Doye, J.P.K. Polytetrahedral Clusters / J.P.K. Doye, D.J. Wales // Phys. Rev. Lett.2001.-V. 86.-P. 5719−5722.
- Doye, J.P.K. On the structure of small lead clusters / J.P.K. Doye, S.C. Plendy // Eur. Phys. J. D: At., Mol., Opt., Plasma Phys. 2003. — V. 22. — P. 99−107.
- Delia Longa, S. B. Fe-Heme Conformations in Ferric Myoglobin / S. Delia Longa, S. Pin, R. Cortes, A. Soldatov, B. Alpert //. Biophys. 1998. — J.75 — P. 3154−3162.
- Mazalova, V. Free small nanoclusters of titanium: XANES study / V. Mazalova, A. Kravtsova, G. Yalovega, A. Soldatov, P. Piseri, M. Coreno, T. Mazza, C. Lenardi, G. Bongiorno, P. Milani // Nucl. Instr. Meth. Phys. Res. A: 2007. — V. 575. — P. 165−167.
- ΠΠ°Π·Π°Π»ΠΎΠ²Π°, Π.JI. ΠΠ΅ΠΎΠΌΠ΅ΡΡΠΈΡΠ΅ΡΠΊΠ°Ρ ΠΈ ΡΠ»Π΅ΠΊΡΡΠΎΠ½Π½Π°Ρ ΡΡΡΡΠΊΡΡΡΠ° ΠΌΠ°Π»ΡΡ Π½Π°Π½ΠΎΠΊΠ»Π°ΡΡΠ΅ΡΠΎΠ² ΠΌΠ΅Π΄ΠΈ: Π°Π½Π°Π»ΠΈΠ· ΠΌΠ΅ΡΠΎΠ΄ΠΎΠΌ XANES ΠΈ DFT / Π. Π. ΠΠ°Π·Π°Π»ΠΎΠ²Π°, A.B. Π‘ΠΎΠ»Π΄Π°ΡΠΎΠ² // ΠΡΡΠ½Π°Π» ΡΡΡΡΠΊΡΡΡΠ½ΠΎΠΉ Ρ ΠΈΠΌΠΈΠΈ 2008 — № 49 — Π‘.124−131.
- Ankudinov, A.L. Real-space multiple-scattering calculation and interpretation of x-ray-absorption near-edge structure / A.L. Ankudinov, B, Ravel, J.J. Rehr, S. Conradson // Phys. Rev. B. 1998. — V. 58. — N. 12. — P. 7565−7576.
- Ankudinov, A.L. Parallel calculation of electron multiple scattering using Lanczos algorithms / A.L. Ankudinov, C.E. Bouldin, J.J. Rehr, J. Sims, H. Hung // Phys. Rev. B.- 2002. — V. 65.-N. 10. —P.104 107.
- Joly, Y. X-ray absorption near-edge structure calculations beyond the muffin-tin approximation / Y. Joly // Phys. Rev. B. 2001. — V. 63. — P. 125 120.
- Thijssen, J.M. Embedding Muffin-Tins into a Finite-Difference Grid / J.M. Thijssen, J.E. Inglesfield // Europhys. Lett. 1994. — Y. 27. — P. 65−70.
- Parr, R.G. Density-Functional Theory of Atoms and Molecules / R.G. Parr, W. Yang.- New York Oxford University Press, 1989. 333 pp.
- Dreizler, R.M. Density Functional Theory: An Approach to the Quantum Many-Body Problem/ R.M. Dreizier, E.K.U. Gross// Springer-Verlag, Berlin. 1990.
- Ellis, D.E. Density Functional Theory of Molecules, Clusters and Solids / D.E. Ellis.- Dordrecht: Kluwer Academic Publishers, 1995. 320 pp.
- Ernzerhof, M. Density functional: Where do they come from, why do they work? / M. Ernzerhof, J. P. Perdew, K. Burke // Topics in Current Chemistry. Berlin: Springer, 1996.-V. 180.-P. 1−30.
- Seminario, J.M. Recent Developments and Applications of Modern Density Functional Theory / J.M. Seminario. Amsterdam: Elsevier, 1996.
- Ziegler, T. Approximate density functional theory as a practical tool in molecular energetics and dynamics / T. Ziegler // Chem. Rev. 1991. — V. 91. — P. 651−667.
- Ziegler, T. The 1994 Alcan Award Lecture Density functional theory as a practical tool in studies of organometallic energetics and kinetics. Beating the heavy metal blues with DFT / T. Ziegler // Can. J. Chem. 1995. — V. 73. — P. 743−761.
- Redfern, P.C. Assessment of Modified Gaussian-2 (G2) and Density Functional Theories for Molecules Containing Third-Row Atoms Ga-Kr / P.C. Redfern, J.-P. Blaudeau, L.A. Curtiss // J. Phys. Chem. A. 1997. — V. 101. — P. 8701−8705.
- Curtiss, L.A. Assessment of Gaussian-2 and density functional theories for the computation of ionization potentials and electron affinities / L.A. Curtiss, P.C. Redfern, K. Raghavachari, J.A. Pople // J. Chem. Phys. 1998. — V. 109. — P. 42−55.
- Baerends, E.J. A Quantum Chemical View of Density Functional Theory / E.J. Baerends, O.V. Gritsenko // J. Phys. Chem. A. 1997. — V. 101. — P. 5383−5403.
- Stowasser, R. What Do the Kohn-Sham Orbitals and Eigenvalues Mean? / R. Stowasser, R. Hoffmann // J. Am. Chem. Soc. 1999. — V. 121. — P. 3414−3420.
- Bickelhaupt, F.M. Understanding reactivity with Kohn-Sham molecular orbital theory: E2-SN2 mechanistic spectrum and other concepts / F.M. Bickelhaupt // J. Comput. Chem. 1999. — V. 20. — P. 114−128.
- Kohn, W. Self-consistent equations including exchange and correlation effects / W. Kohn, L. Sham//Phys. Rev.- 1965.-V. 140. P. A1133−1138.
- Payne, M.C. Iterative minimization techniques for ab initio total-energy calculations: molecular dynamics and conjugate gradients / M.C. Payne, M.P. Teter, D.C. Allan // Rev. Mod. Phys. 1992. -V. 64. — P. 1045−1097.
- Koh, Π. ΠΠ»Π΅ΠΊΡΡΠΎΠ½Π½Π°Ρ ΡΡΡΡΠΊΡΡΡΠ° Π²Π΅ΡΠ΅ΡΡΠ²Π° — Π²ΠΎΠ»Π½ΠΎΠ²ΡΠ΅ ΡΡΠ½ΠΊΡΠΈΠΈ ΠΈ ΡΡΠ½ΠΊΡΠΈΠΎΠ½Π°Π»Ρ ΠΏΠ»ΠΎΡΠ½ΠΎΡΡΠΈ / Π. ΠΠΎΠ½ // Π£Π€Π. 2002. — V. 172. — № 3. — Π‘. 336−348.
- Fuchs, Π. Ab initio pseudopotentials for electronic structure calculations of polyatomic systems using density-functional theory / M. Fuchs, M. Scheffler // Π‘ΠΎΡΡ. Phys. Commun. 1999. -V. 119.-P. 67−98.
- Baerends, E.J. Self-consistent molecular Hartree-Fock-Slater calculations I. The computational procedure / E.J. Baerends, D.E. Ellis, P. Ros // Chem. Phys. 1973. — V. 2.-P. 41−51.
- Pulay, P. Convergence acceleration of iterative sequences. The case of scf iteration / P. Pulay // Chem. Phys. Lett. 1980. — V. 73. — P. 393−398.
- Pulay, P.J. Improved SCF convergence acceleration / P.J. Pulay // J. Comput. Chem. -1982.-V.3.- P. 556−560.
- Hamilton, T.P. Direct inversion in the iterative subspace (DIIS) optimization of open-shell, excited-state, and small multiconfiguration SCF wave functions / T.P. Hamilton, P.J. Pulay // J. Chem. Phys. 1986. — V. 84. — P. 5728−5734.
- Fischer, Π’.Π. General methods for geometry and wave function optimization / Π’.Π. Fischer, J. Almlof // J. Phys. Chem. 1992. -V. 96. — P. 9768−9774.
- Ziegler, T. CO, CS, N2, PF3, and CNCH3 as a donors and it acceptors. A theoretical study by the Hartree-Fock-Slater transition-state method / T. Ziegler, A. Rauk // Inorg. Chem. 1979. -V. 18. — P. 1755−1759.
- Bickelhaupt, F.M. Kohn-Sham Density Functional Theory: Predicting and Understanding Chemistry / F.M. Bickelhaupt, E.J. Baerends // Rev. Comput. Chem. -2000.-V. 15.-P. 1−86.
- Morokuma, K.J. Molecular Orbital Studies of Hydrogen Bonds. III. CO-HO Hydrogen Bond in H2C0-H20 and H2C0−2H20 // Chem. Phys. 1971. — V. 55. — P. 1236−1244.
- Kitaura, K. A new energy decomposition scheme for molecular interactions within the Hartree-Fock approximation / K. Kitaura, K. Morokuma // Int. J. Quantum. Chem. -1976.-V. 10.-P. 325−340.
- Fuchs, M. Ab initio pseudopotentials for electronic structure calculations of polyatomic systems using density-functional theory / M. Fuchs, M. Scheffler // Comp. Phys. Commun. 1999. -V. 119. — P. 67−98.
- Ceperley, D.M. Ground State of the Electron Gas by a Stochastic Method / D.M. Ceperley, B. Alder //Phys. Rev. Lett. 1980. — V. 45. — P. 566−569.
- Vosko, S.H. Accurate spin-dependent electron liquid correlation energies for local spin density calculations: a critical analysis / S.H. Vosko, L. Wilk, M. Nusair // Can. J. Phys. 1980. — V. 58. — P. 1200−1211.
- Stoll, H. On the Calculation of Correlation Energies in the Spin-Density Functional Formalism / H. Stoll, C.M.E. Pavlidou, H. Preuss // Theoret. Chim. Acta. 1978. — V. 49.-P. 143−149.
- Perdew, J.P. Accurate and simple density functional for the electronic exchange energy: Generalized gradient approximation / J.P. Perdew, Y. Wang // Phys. Rev. B. -1986. V. 33. — P. 8800−8802.
- Perdew, J.P. Density-functional approximation for the correlation energy of the inhomogeneous electron gas / J.P. Perdew // Phys. Rev. B. 1986. — V. 33. — P. 88 228 824.
- Becke, A.D. Density-functional exchange-energy approximation with correct asymptotic behavior / A.D. Becke // Phys. Rev. A. 1988. — V. 38. — P. 3098−3100.
- Lee, C. Development of the Colle-Salvetti correlation-energy formula into a functional of the electron density / C. Lee, W. Yang, R.G. Parr // Phys. Rev. B. 1988. -V. 37. — P. 785−789.
- Redfern, P.C. Assessment of Modified Gaussian-2 (G2) and Density Functional Theories for Molecules Containing Third-Row Atoms Ga-Kr / P.C. Redfern, J.P. Blaudeau, L.A. Curtiss // J. Phys. Chem. A. 1997. — V. 101. — P. 8701−8705.
- Perdew, J.P. Accurate Density Functional with Correct Formal Properties: A Step Beyond the Generalized Gradient Approximation / J.P. Perdew, S. Kurth, A. Zupan, P. Blaha // Phys. Rev. Lett. 1999. -V. 82. — P. 2544−2547.
- Perdew, J.P. Accurate Density Functional with Correct Formal Properties: A Step Beyond the Generalized Gradient Approximation / J.P. Perdew, S. Kurth, A. Zupan, P. Blaha//Phys. Rev. Lett. 1999. -V. 82. — P. 5179−5179.
- Versluis, L. The determination of molecular structures by density functional theory. The evaluation of analytical energy gradients by numerical integration / L. Versluis, T. Ziegler // J. Chem. Phys. 1988. -V. 88. — P. 322−328.
- Versluis, L. The Determination of Molecular Structures by the HFS-Method // PhD thesis / L. Versluis. Alberta: University of Calgary, 1989. -145 pp.
- Fan, L. Optimization of molecular structures by self-consistent and nonlocal density-functional theory / L. Fan, T. Ziegler // J. Chem. Phys. 1991. — V. 95. — P. 7401−7408.
- Fan, L. Application of density functional theory to infrared absorption intensity calculations on main group molecules / L. Fan, T. Ziegler // J. Chem. Phys. 1992. — V. 96. — P. 9005−9012.
- Broyden, C.G. The convergence of a class of double-rank minimization algorithms: 1. General considerations // J. Inst. Math. Applic. 1970. — V. 6. — P. 76−90.
- Adam, M.S. Spectroscopic investigation of deposited InP nanocrystals and small Cu clusters / M.S. Adam // PhD thesis Hamburg: University of Hamburg, 2004. -145 pp.
- Hagena, O. F. Condensation in Free Jets: Comparison of Rare Gases and Metals / O. F. Hagena // Z. Phys. D., 1987- V. 4, P. 291−299.
- Hagena, O.F. Nucleation and Growth of clusters in expanding nozzle flows, Surf. Sci. — 1981. — V. 106.-P. 101−116.
- Buck, U. Cluster size determination from diffractive He atom scattering / U. Buck, R. Krohne // J. Chem. Phys. 1996. -V. 105-P. 5408−5415.
- Goyal, S. Noble gas clusters as matrices for infrared spectroscopy. From small clusters to bulk-matrix limit: SF6Ar", SF6Krn and SF6Xen with 100< n<10000 / S. Goyal, D. L. Schutt, G. Scoles // J. Chem. Phys. 1995. -V. 102 — P. 2302−2314.
- Cheshnovsky, O. Ultraviolet photoelectron spectra of mass-selected copper clusters: Evolution of the 3d band / O. Cheshnovsky, K. J. Taylor, J. Conceicao, R. E. Smalley // Phys. Rev. Lett. 1990. -V. 64. — P. 1785−1788.
- Joo, S. H. Ordered nanoporous arrays of carbon supporting high dispersions of platinum nanoparticles / S. H. Joo, S. J. Choi, I. Oh, J. Kwak, Z. Liu, O. Terasaki, R. Ryoo // Nature 2001. — V. 412. — P. 169−172.
- Valden, M. Onset of Catalytic Activity of Gold Clusters on Titania with the Appearance of Nonmetallic Properties/ M. Valden, X. Lai, D. W. Goodman // Science -1998.-V. 281-P. 1647−1650.
- Hansen, P.L. Atom-Resolved Imaging of Dynamic Shape Changes in Supported Copper Nanocrystals/ P.L. Hansen, J.B. Wagner, S. Helveg, J.R. Rostrup-Nielsen, B.S. Clausen, H. Tops0e // Science 2002. — 295. — P. 2053−2055.
- Knickelbein, M. B. Reactions of Transition Metal Clusters with Small Molecules / M. B. Knickelbein // Annu. Rev. Phys. Chem. 1999. — V. 50. — P. 79−115.
- Gittins, D.I. A nanometre-scale electronic switch consisting of a metal cluster and redox-addressable groups / D.I. Gittins, D. Bethell, D.J. Schiffrin, R.J. Nichols // Nature -2000.-V. 408.-P. 67−69.
- Park, S.J. Array-Based Electrical Detection of DNA with Nanoparticle Probes / S.J. Park, T.A. Taton, C.A. Mirkin // Science 2002. — V. 295. — P. 1503−1506.
- Boal, A.K. Self-assembly of nanoparticles into structured spherical and network aggregates/A.K. Boal, F. I. Jason, E. DeRouchey, T. Thurn-Albrecht, T.P. Russell, Vincent M. Rotello // Nature 2000. — 404. — P. 746−748.
- Binns C. Nanoclusters deposited on surface / C. Binns // Surf. Sci. Rep. 2001. -V. 44.-P. 1 -49.
- Cleveland, C. L. Structural Evolution of Smaller Gold Nanocrystals: The Truncated Decahedral Motif / C.L. Cleveland, U. Landman, T.G. Schaaff, M.N. Shafigullin, P.W. Stephens, R.L. Whetten // Phys. Rev. Lett. 1997. — V. 79. — P. 18 731 876.
- Soler, J.M. Metallic bonding and cluster structure / J.M. Soler, M.R. Beltran, K. Michaelian, Gazon. P. Ordejon, D. Sanchez-Portal, E. Artacho // Phys. Rev. B -2000. -V. 61.-P. 5771−5780.
- Fournier, R. Theoretical study of the structure of silver clusters / R. Fournier // J. Chem. Phys.-2001.-V. 115.-P. 2165−2177.
- Hakkinen, H. Gold clusters (AuN, 2
- Haberlen, D.H. From clusters to bulk: A relativistic density functional investigation on a series of gold clusters Aun, n = 6,., 147 / D.H. Haberlen, S.C. Chung, M. Stener, N. Rosch//J. Chem. Phys. 1997. -V. 106. — P. 5189−5201.
- Gilb, S. Structures of small gold cluster cations (Aun+, n<14): Ion mobility measurements versus density functional calculations / S. Gilb, P. Weis, F.F.R. Ahlrichs, M. Kappes // J. Chem. Phys. 2002. — V. 116. — P. 4094−4101.
- Hakkinen, H. Bonding in Cu, Ag, and Au Clusters: Relativistic Effects, Trends, and Surprises / H. Hakkinen, M. Moseler, U. Landman // Phys. Rev. Lett. 2002. — V. 89.-P. 33 401.
- Doye, J.P.K. Structural consequences of the range of the interatomic potential A menagerie of clusters / J.P.K. Doye, D.J. Wales // J. Chem. Soc., Faraday Trans. -1997. -V. 93.-P. 4233−4243.
- Doye, J.P.K. Global minima for transition metal clusters described by Sutton-Chen potentials / J.P.K.Doye, D.J. Wales // New J. Chem. 1998. — V. 22. — P. 733−744.
- Wilson, N.T. Modelling gold clusters with an empirical many-body potential / N.T. Wilson, R.L. Johnston // Eur. Phys. J. D. 2000. — V. 12. — P. 161−169.
- Darby, S. Theoretical study of Cu-Au nanoalloy clusters using a genetic algorithm / S. Darby, T.V. Mortimer-Jones, R.L. Johnston, C. Roberts // J. Chem. Phys. 2002. -V. 116.-P. 1536−1550.
- Michaelian, K. Disordered global-minima structures for Zn and Cd nanoclusters / K. Michaelian, M.R. Beltran, I.L. Garzon // Phys. Rev. B. 2002. — V. 65. — P. 41 403.
- Garzon, I.L. Lowest Energy Structures of Gold Nanoclusters / I.L. Garzonl, K. Michaelianl, M.R. Beltran, A. Posada-Amarillas, P. Ordejon, E. Artacho, D. Sanchez-Portal, J.M. Soler // Phys. Rev. Lett. 1998. -V. 81. — P. 1600−1603.
- Wang, J. Density-functional study of Aun (n= 2 20) clusters: Lowest-energy structures and electronic properties / J. Wang, G. Wang, J. Zhao // Phys. Rev. B — 2002. -V. 66.-P. 35 418.
- Parks, E. K. The structure of Ni46, Ni47 and Ni48 / E.K. Parks, K.P. Kerns, S.J. Riley // J. Chem. Phys. 2001. — V. 114. — P. 2228−2236.
- Reinhard, D. Size-Dependent Icosahedral-to-fcc Structure Change Confirmed in Unsupported Nanometer-Sized Copper Clusters / D. Reinhard, B.D. Hall, P. Berthoud, S. Valkealahti, R. Monot // Phys. Rev. Lett. 1997. — V. 79. — P. 1459−1462.
- Yang, S. H. Density functional studies of small platinum clusters / S.H. Yang, D.A. Drabold, J.B. Adams, P. Ordejon, K. Glassford // J. Phys.: Condens. Matter 1997. -V. 9.-P. L39-L45.
- Michaelian, K. Structure and energetics of Ni, Ag. and Au nanoclusters / K. Michaelian, M.R. Beltran, I.L. Garzon // Phys. Rev. B. 2002. — V. 65. -P.41 403.
- Demuynck, J. Bulk properties or not: The electronic structure of small metal clusters / J. Demuynck, M. -M. Rohmer, A. Strich, A. Veillard // J. Chem. Phys. 1981. -V.75.-P. 3443−3453.
- Lammers, U. Electronic and atomic structure of copper clusters / U. Lammers, G. Borstel // Phys. Rev. B. 1994. -V. 49. — P. 17 360−17 377.
- Ceperley, D.M. Ground state of the electron gas by a stochastic method / D. M Ceperley., B.J. Alder// Phys. Rev. Lett. 1980. -V. 45. — P. 566−569.
- Swart, M. Performance of the OPBE exchenge-correlation functional / M. Swart, A.W. Ehlers, K. Lammertsma // Mol. Phys. 2004. — V. 102. — P. 2467−2474.
- Handy, N.C. Left-right correlation energy / N.C. Handy, A.J. Cohen // Mol. Phys. — 2001. — V. 99. — P.403−412.
- Perdew, J.P. Generalized Gradient Approximation Made Simple / J.P. Perdew, K. Burke, M. Ernzerhof// Phys. Rev. Lett. 1996. — V. 77. — P. 3865−3868.
- Seifert G. On the Extension of the Parallel-Resistor Model for High-Resistivity Conductors / G. Seifert // Phys. Status Solidi (b). 1987. — V. 143. — K37-K52.
- Valkealahty, S. Instability of cuboctahedral copper clusters / S. Valkealahty, M. Manninen // Phys. Rev. B. 1992. -V. 45. — P. 9459−9462.
- Christensen, O.B. The coupling between atomic and electronic structure in small Cu clusters / O.B. Christensen, K.W. Jacobsen // J. Phys.: Condens. Matter. 1993. — V. 5. — P.5591−5602.
- Ozdogan, C. Molecular-dynamics simulation of the structural stability, energetics, and melting of Cun (n=13−135) clusters / C. Ozdogan, S. Erkoc // Z. Phys. D. 1997. -V. 41.-P. 205−209.
- Johnston, R.L. Atomic and molecular clusters / R.L. Johnston. London.: Taylor& Francis, 2002. — 236 pp.
- Jonah, D. A short history of the radiation chemistry of water / D. Jonah // Radiat. Res. 1995. — V. 144 — P. 141−147.
- Ershov, B.G. Reduction of aqueous copper (2+) by carbon dioxide (1-): first steps and the formation of colloidal copper / B.G. Ershov, E. Janata, M. Michaelis, A. Henglein // J. Phys. Chem. 1991.- V. 95 — P. 8996−8999.
- Apai, G. Extended X-Ray—Absorption Fine Structure of Small Cu and Ni Clusters: Binding-Energy and Bond-Length Changes with Cluster Size / J.F. Hamilton, J. Stohr, A. Thompson // Phys. Rev. Lett. 1979. — V. 43 — P. 165−169.
- Montano, P.A. Structure of Copper Microclusters Isolated in Solid Argon / P.A. Montano, G.K. Shenoy, E.E. Alp, W. Schulze, J. Urban // Phys. Rev. Lett. 1986. — V. 56.-P. 2076−2079.
- Marcus, M.A. Structure and vibrations of chemically produced AU55 clusters / M.A. Marcus, M.P. Andrews, J. Zegenhagen, A.S. Bommanavar, P. Montano // Phys. Rev. B. 1990. — V. 42.-P. 3312−3316.
- Fujishima, A. Electrochemical Photolysis of Water at a Semiconductor Electrode / A. Fujishima, K. Honda // Nature. 1972. — V. 238. -P. 37−38.
- Scherb, G. Cu deposition onto n-GaAs (100): optical and current transient studies / G. Scherb, D. M. Kolb // J. Electroanal. Chem. 1995. — V.396. — P. 151−159.
- Vereecken, P. M. Preparation and capacitive properties of cobalt-nickel oxides/carbon nanotube composites / P. M. Vereecken, F.V. Kerchove, W.P. Gomes // Electrochim. Acta. 1996. -V. 41. — P. 95−107.
- Zegenhagen, J. X-ray diffraction study of a semiconductor/electrolyte interface: n-GaAs (001)/H2S04(:Cu) / Zegenhagen, J., Kazimirov, A. Scherb, G. Kolb, D. M. Smilgies, D.-M. Feidenhans’l, R. // Surf. Sci. 1996. — V.352−354. -P.346−351.
- Pandya, K. I. In Situ X-Ray Absorption Spectroscopic Studies of Nickel Oxide Electrodes / K.I. Pandya, R.W. Hoffman, J. McBreen, W.E. O’Grady // J. Electrochem. Soc. 1990. -V. 137.-P. 383−388.
- Yee, H. S. Ab Initio XAFS Calculations and in-Situ XAFS Measurements of Copper Underpotential Deposition on Pt (111): A Comparative Study / H.S. Yee, H. D. Abruna // J. Phys. Chem. 1994. -V. 98. -P. 6552−6558.
- Oyanagi, H. A directly water-cooled silicon crystal for high power insertion devices / H. Oyanagi, Y. Kuwahara, H. Yamaguchi // Rev. Sci. Instrum. 1995. — V. 66. -P. 4482−4486.
- Oyanagi, H. Polarized X-Ray Absorption Fine Structure of La2Cu04. y Single Crystal / H. Oyanagi, K. Oka, H. Unoki, Y. Nishihara, K. Murata, H. Yamaguchi, T. Matsushita, M. Tokumoto, Y.J. Kimura // Phys. Soc. Jpn. 1989. — V. 58. — P. 28 962 901.
- Yee, H. S. In situ x-ray absorption spectroscopy studies of copper underpotentially deposited in the absence and presence of chloride on platinum (111) / H.S. Yee, H.D. Abruna // Langmuir. 1993. — V. 9. — P. 2460−2469.
- Montano, P. A.- Structure of Copper Microclusters Isolated in Solid Ar / P.A. Montano, G.K. Shenoy, E.E. Alp, W. Schulze, J. Urban // Phys. Rev. Lett. 1986. — V. 56.-P. 2076−2079.
- Apai, G. Extended X-Ray—Absorption Fine Structure of Small Cu and Ni Clusters: Binding-Energy and Bond-Length Changes with Cluster Size / G. Apai, J. F. Hamilton, J. Stohr, A. Thompson // Phys. Rev. Lett. 1979. -V. 43. — P. 165−169.
- Katagiri, M. Deposition and Surface Dynamic of Metals Studied by the Embedded-Atom Molecular Dynamics Method / M. Katagiri, A. Miyamoto, T.R. Coley, Y.S. Li, J.M. Nevvsam // Mol. Simul. 1996. — V. 17. — P. 1−19.
- Wegner, K Cluster beam deposition: a tool for nanoscale science and technology / K. Wegner, P. Piseri, H.V. Tafreshi, P. Milani // J. Phys. D: Appl. Phys. 2006. — V. 39. — P. R439-R459.
- Barborini, E. A pulsed microplasma source of high intensity supersonic carbon cluster beams / E. Barborini, P. Piseri, P. Milani // J. Phys. D: Appl. Phys. 1999. — V. 32. — P. L105-L109.
- Piseri, P. Production and Characterization of Highly Intense and Collimated Cluster Beams by Inertial Focusing in Supersonic Expansions / P. Piseri, A. Podesta, E. Barborini, P. Milani//Rev. Sei. Instrum. 2001. -V. 72. — P. 2261−2267.
- Wyckoff, R.W.G. Crystal structures / R.W.G. Wyckoff// New York: Interscience Publishers, 1965.-P. 11.
- Ankudinov, A.L. Dynamic screening effects in x-ray absorption spectra / A.L. Ankudinov, A.I. Nesvizhskii, J.J. Rehr // Phys. Rev. B. 2003. — V. 67. — P. 115 120.
- Rehr, J.J. Progress in the theory and interpretation of XANES / J.J. Rehr, A.L.Ankudinov // Coord. Chem. Rev. 2005 — V. 249. — P. 131−140.
- Virkar, A.V. Thermodynamic and Kinetic Effects of Oxygen Removal on the Thermal Conductivity of Aluminum Nitride / T.B. Jackson, R.A. Cutler // J. Am. Ceram. Soc. 1989. — V.72. — P.2031−2042.
- Strite, S. GaN, A1N, and InN: A review / S. Strite, H. Morkoc // J. Vac. Sei. Technol. B. 1992. -V. 10. — P. 1237−1266.
- Meng, W.J., in Properties of Group III Nitrides / W.J. Meng // EMIS Datareviews Series, an INSPEC publication- Ed. Edgar J.H., 1994. N11. — P. 22−29.
- Sennour, M. Contribution of advanced microscopy techniques to nano-precipitates characterization: case of A1N precipitation in low-carbon steel / M. Sennour, C. Esnouf // Acta Materialia. 2003. — V. 51. — P. 943−957.
- Tondare, N. Synthesis of nanowires and nanoparticles of cubic aluminium nitride //Nanotechnology. -2004. — V. 15.-P. 1388−1389.
- Bellucci, S. Carbon nanotubes: physics and applications / S. Bellucci // Phys. Stat. Sol ©. 2005. — V. 2. — N 1. — P. 34−47.
- Balasubramanian. C. Scanning tunneling microscopy observation of coiled aluminum nitride nanotubes / C. Balasubramanian, S. Bellucci, P. Castrucci, M. De Crescenzi, S. V. Bhoraskar// Chem.Phys.Lett. 2004. -V. 383. — P. 188−191.
- Zhang, D. Theoretical prediction on aluminum nitride nanotubes / D. Zhang, R.Q. Zhang// Chem.Phys.Lett. -2003. -V. 371. P. 426−432.
- Kang, J. W. Atomistic study of Ill-nitride nanotubes / J. W. Kang, H.J. Hwang // Comput. Materials Science. 2004. — V. 31. — P. 237−246.
- Chen, X. A1N Nanotube: Round or Faceted? / X. Chen, J. Ma, Z. Hu, Q. Wu, Y. Chen//JACS.-2005.-V. 127. -P. 7982−7983
- Zhao, M. Strain energy and thermal stability of single-walled aluminum nitride nanotubes from first-principles calculations / M. Zhao, Y. Xia, Z. Tan, X. Liu, F. Li, B. Huang, Y. Ji, L. Mei. // Chem.Phys.Lett. 2004. — V. 389. — P. 160−164.
- Zhao, M. Stability and electronic structure of A1N nanotubes / M. Zhao, Y. Xia, D. u Zhang L. Mei // Phys. Rev. B. 2003. — V. 68. — P.235 415.
- Zhang, M. Theoretical interpretation of different nanotube morphologies among Group HI (B, Al, Ga) nitrides / M. Zhang, Z.-M. Su, L.-K. Yan, Y.-Q. Qiu, G.-H. Chen, R.-S. Wang//Chem.Phys.Lett. -2005. V. 408. — P. 145−149.
- Hou, S. First-principles calculations on the open end of single-walled A1N nanotubes / S. Hou, J. Zhang, Z. Shen, X. Zhao, Z. Xue // Physica E. 2005. — V. 27. -P. 45−50.
- Suga, T. Characterization of nanotextured A1N thin films by x-ray absorption near-edge structures / T. Suga, S. Kameyama, S. Yoshioka, T. Yamamoto, I. Tanaka, T. Mizoguchi. // Appl. Phys. Lett. 2005. — V. 86. — P. 163 113.
- Katsikini, M. Determination of the local microstructure of epitaxial A1N by x-ray absorption / M. Katsikini, E.C. Paloura, T. S. Cheng, C. T. Foxon // J. Appl. Phys. -1997.-V. 82.-P. 1166−1171.