Publications of Efimov Y.Y.

2011, 2010, 2009, 2008, 2005, 2004, 2003, 2002, 2001, 2000, 1999-1990, 1989-1980, 1979-1970

2012

VIII International Voevodsky Conference “Physics and Chemistry of Elementary Chemical Processes”. Novosibirsk, Russia, July 15-19, 2012.

● Poster: Efimov Yu.Ya., The continuum and mixture models of water: Whether they are alternative? VIII International Voevodsky Conference “Physics and Chemistry of Elementary Chemical Processes”, Book of abstracts, p.215, Novosibirsk, Russia, 2012.

● Poster: Efimov Yu.Ya., Naberukhin Yu.I., The Potential of Hydrogen Bond Being Used in Molecular Dynamics Simulations  of Water  Allows Reconstructing the Experimental  Raman Spectra in a Wide Temperature Range, VIII International Voevodsky Conference “Physics and Chemistry of Elementary Chemical Processes”, Book of abstracts, p.216 , Novosibirsk, Russia, 2012

2011

● Yu.Ya.Efimov, Yu.I.Naberukhin. Potential of hydrogen bond in water. Comparison of the theory with vibrational spectra and results of molecular dynamics simulations.// Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy 78 (2011) pp. 617-623 DOI, PDF

2010

● Yu.Ya. Efimov. Effect of the hydrogen bridge geometry on the vibrational spectra of water: Three-parameter potential of H-bond// Journal of Structural Chemistry (Engl. Transl.) Vol. 51, No. 3, pp. 482-490, 2010. DOI, PDF

2009

● Yu.Ya. Efimov. Effect of the hydrogen bridge geometry on the vibrational spectra of water: Two-parameter H-bonding potentials // Journal of Structural Chemistry (Engl. Transl.) Vol. 50, No. 4, pp. 702-711, 2009. DOI, PDF

2008

● Yu.Ya. Effects of the H-bond bridge geometry on the vibrational spectra of water: The simplest models of the H-bond potential // Journal of Structural Chemistry (Engl. Transl.) Vol. 49, No. 2, pp. 261-269, 2008. DOI, PDF

● Yu.Ya. Efimov, Yu.I.Naberukhin. Interpretation of the spectroscopic and thermodynamic properties of liquid water basing on the fluctuation theory of hydrogen bonding. // XIV Symposium on intermolecular interactions and molecular conformations, Chelyabinsk, June 15-21, 2008, Abstract book, p.21 (Oral contribution).

● Yu.Ya. Efimov. Reconstruction of the H-bond potentials by the analysis of temperature evolution of the vibration spectra of liquid water. // XIV Symposium on intermolecular interactions and molecular interactions and molecular conformations, Chelyabinsk, June 15-21, 2008, Abstract book, p. 88 (Poster).

2005

● Yu.Ya.Efimov, Yu.I.Naberukhin, Thermodynamic functions of liquid water calculated from the temperature evolution of the vibration spectrum contour // Spectrochimica Acta, Part A: Mol. & Biomolecular Spectroscopy, 2005, Volume/Issue 61/8, pp. 1789-1794. PDF

● Yu.Ya. Efimov, N.N. Medvedev, Yu.I. Naberukhin, New Aspects of Water Structure: Molecular Spectroscopy and Computer Simulation Analysis. In: Proceedings of the International Symposium of the Association of Academies of Science in Asia on Science and Technology of Water, October 12, 2005, Seoul, Korea. pp.45-52. PDF

2004

● Yu.Ya.Efimov, Yu.I.Naberukhin, Fluctuation theory of hydrogen bonding applied to vibration spectra of HOD molecules in liquid water. II. Infrared spectra: contour shape, integrated intensity, temperature dependence. // Molecular Physics, 2004, v. 102, p. 1407-1414. PDF

● Yu.Ya.Efimov, Yu.I.Naberukhin. Description of spectroscopic and thermodynamic properties of liquid water and of potential of H-bonding on a basis of fluctuation concept. // International Conference of Hydrogen Bonding, Moscow, Klaz'ma, 2004, p.O5 (Oral contribution).

2003

● Yu.Ya.Efimov, Yu.I.Naberukhin Fluctuation theory of hydrogen bonding applied to vibration spectra of HOD molecules in liquid water. I. Raman spectra // Molecular Physics, 2003, v.101, p.459 - 468. PDF

● Yu.Ya.Efimov, Correlations between bond lengths and stretching frequencies in the O—D...O hydrogen bridge and their consequences// Russian Chemical Bulletin, International Edition, Vol. 52, No. 1, pp. 261-264, 2003 PDF

2002

● Yu.Ya.Efimov, Yu.I.Naberukhin, On the interrelation between stretching and bending vibrations in liquid water //Spectrochimica Acta, 2002, part A, v.58, p.519- 524. PDF

2001

● Yu.Ya.Efimov, Asymmetry of Н2О molecules in a liquid phase and its consequences // Journal of Structural Chemistry(Rus), 2001, v.42, №6, p.1122-1132 PDF(rus)

● Yu.Ya.Efimov, Whether Н2О molecules are symmetric in liquid water? // RFBR Electronic Journal "It is investigated in Russia", (Rus), 2001, 123, p.1388-1398 PDF(rus)

2000

● Yu.Ya.Efimov, Yu.I.Naberukhin, Distribution of stretching frequencies and thermodynamics of H-bonds in water being calculated from IR-spectra on the basis of the fluctuation model // Journal of Structural Chemistry(Rus), 2000, v.41, №3, с.532-539.

● Yu.Ya.Efimov, Digital iterative deconvolution procedure (DIDP) and its smoothing properties to treat with experimental spectra. // Vibrational Spectroscopy, 2000, v.23, p.57 - 69. PDF

1999-1990

● Efimov Yu.Ya. The nature of spectral broadening, band shape and correlation:  νAH - RA…B  in hydrogen bonded liquids. // Zhurn. Strukturnoi Khimii (Rus.), 32, p. 72-80,1991.

● Gorbunov B.Z., and Efimov Yu.Ya. The molecular theory of heterogeneous nucleation of crystals on small  substrate particles. Probability of heterogeneous nucleation; comparison with experiment. // Kolloidnyi Zhurnal (Rus.), 52, p. 660-665, 1990.

● Efimov Yu.Ya. Ensembles of H-bonds in liquids, ice nuclei and in computer modelling. // J. Molec. Struct. 237, p. 93-103, 1990.

1989-1980

● Gorbunov B.Z., and Efimov Yu.Ya. Hydrogen bonding and processes of heterogeneous ice nucleation on small particles: molecular model and computer simulations. // J.Aerosol Sci., 20, p. 1039-1041, 1989.

● Efimov Yu.Ya., and Naberukhin Yu.I.  Temperature dependence of vibration spectra of water and also invariant characteristics of its hydrogen bonds. // in :  The molecular physics and biophysics of aqueous systems, v.7, Leningrad: Leningrad State University, p. 15-23, 1989.

● Efimov Yu.Ya. Assemblies of H-bonds in liquids, crystal embryos and in computer experiment. // Proc. IX Internatl. Conf. “Horizons in H-Bond research”, Zeist, Holland, p. L15-L17, 1989.

● Efimov Yu.Ya., and Naberukhin Yu.I. Fluctuation theory of hydrogen bonding in liquids: structure, spectral bandshapes and temperature dependence. // Discuss. Chem. Soc., 85, p. 117-123 1988) + oral discussion, ibid. p. 152-165, 1988.

● Efimov Yu.Ya., Gorbunov B.Z. The dependence of specific interface energy on the size of contact area between a nucleus and a substrate: cause and effect. // J.of Crystal Growth, 91, p. 119-122, 1988.

● Gorbunov B.Z., Efimov Yu.Ya., Kakutkina N.A. The equilibrium form of crystal nuclei on a substrate with varying interphase free energy. // Poverkhnost’. Fizika, khimiya, mekhanika. 12, p. 102-107, 1986.

● Efimov Yu.Ya. Intermolecular interaction fluctuations, vibrational coupling and spectral band shapes for liquid water. //J. Molec. Struct. 141, p. 419-422, 1986.

● Gorbunov B.Z., Efimov Yu.Ya. Relaxation of a crystal monolayer nucleus on a substrate with close crystallographic parameters. // Poverkhnost’. Fizika, khimiya, mekhanika. 7, p. 83-86, 1986.

● Gorbunov B.Z., Efimov Yu.Ya. Heterogeneous nucleation of crystalline nuclei of the equilibrium form. // Kristallografiya (Rus.), 31, p. 139-145, 1986.

● Gorbunov B.Z., Efimov Yu.Ya. Dependence of specific interphase free energy on the size of contact area between a nucleus and a substrate. // Fiz. tverdogo tela (Rus.), 27, p. 398-400, 1985.

● Gorbunov B.Z., Efimov Yu.Ya., Kakutkina N.A., Koutsenogii K.P. Structure relaxation of  the micro nucleus growing on a substrate with similar crystallographic parameters. // Kristallografiya (Rus.), 30, p. 986-991, 1985.

● Efimov Yu.Ya., Gorbunov B.Z. Study of energy aspects of heterogeneous crystals formation by computer simulations. I I. Calculation of interphase energy at ice formation on a basic surface of substrates with hexagonal and cubic structure. // Kristallografiya (Rus.), 29, p. 857-863, 1984.

● Efimov Yu.Ya., Gorbunov B.Z. Study of energy aspects of heterogeneous crystals formation by computer simulations. I. Molecular model of interphase border and a calculation method of interaction energy between a nucleus and a substrate. // Kristallografiya (Rus.), 29, p. 849-856, 1984.

● Efimov Yu.Ya. Intramolecular vibrations in ice: interpretation of experiments on isotope isolation of H2O molecules. // Zhurn. Strukturnoi Khimii (Rus.), 23, p. 101-109, 1982.

● Efimov Yu.Ya. Calculation of the band shapes in vibration spectra of H2O molecules isotopically isolated in cubic D2O ice. //Optika i  Spektroskopiya (Rus.), 53, p. 1015-1018, 1982.

● Efimov Yu.Ya., and Naberukhin Yu.I. Spectra of intramolecular vibrations of D2O molecules in matrixes of H2O ices. Calculation and interpretation of the infrared and Raman spectra band shapes. // Optika i  Spektroskopiya (Rus.), 53, p. 270-277, 1982.

● Efimov Yu.Ya., and Naberukhin Yu.I.  Explanation of temperature dependence of the band shape of a stretching vibration overtone of HOD molecules in a liquid on the basis of fluctuation model of hydrogen bonding. // Optika i  Spektroskopiya (Rus.), 52, p. 999-1003, 1982.

● Efimov Yu.Ya., and Naberukhin Yu.I. Structural interpretation of distinctions in temperature transformation of band shapes of stretching vibrations of OH-groups in water and methanol. // Zhurn. Strukturnoi Khimii (Rus.), 22, p. 88-92, 1981.

● Efimov Yu.Ya., and Naberukhin Yu.I.  Explanation of peculiarities of vibration spectra of HOD molecules in solutions of ordinary and heavy water on the basis of fluctuation model of hydrogen bonding. // Optika i  Spektroskopiya (Rus.), 48, p. 878-882, 1980.

● Efimov Yu.Ya., and Naberukhin Yu.I.  Substantiation of the continuum model of liquid water structure by means of the analysis of temperature dependence of vibration spectra. // Zhurn. Strukturnoi Khimii (Rus.), 21, p. 95-105, 1980.

1979-1970

● Efimov Yu.Ya., and Naberukhin Yu.I. The fluctuation hypothesis of hydrogen bonding. VI. Calculation of the band shapes in the infrared and Raman spectra for normsl and heavy water in the region of stretching vibrations. // Molec. Physics, 36, p. 973-992, 1978.

● Efimov Yu.Ya., and Naberukhin Yu.I. The fluctuation hypothesis of hydrogen bonding. V. Theoretical reconstruction of infrared and Raman spectra of the 1:1 and 1:2 complexes of H2O and D2O  with dioxane and dimethylsulfoxide. // Molec. Physics, 33, p. 779-793, 1977.

● Efimov Yu.Ya., and Naberukhin Yu.I. The fluctuation hypothesis of hydrogen bonding. IV. The calculation of the vibrational spectra of 1:2 complexes of XH2  molecules including Fermi-resonance. // Molec. Physics, 33, p. 759-778, 1977.

● Efimov Yu.Ya., and Naberukhin Yu.I. The fluctuation hypothesis of hydrogen bonding. III. The calculation of the vibrational spectra of water complexes of the type 1:1. // Molec. Physics, 30, p. 1635-1649, 1975.

● Efimov Yu.Ya., and Naberukhin Yu.I. The fluctuation hypothesis of hydrogen bonding. II. The method of partial oscillators and the mean statistical molecule of liquid water. // Molec. Physics, 30, p. 1627-1634, 1975.

● Efimov Yu.Ya., and Naberukhin Yu.I. The fluctuation hypothesis of hydrogen bonding. I. General discussion. // Molec. Physics, 30, p. 1621-1626, 1975.

● Efimov Yu.Ya., and Naberukhin Yu.I. The method of partial oscillators for calculating frequencies and intensities in vibration spectra of molecules. . // Optika i  Spektroskopiya (Rus.), 32, p. 52-59, 1972.

● Yu.Ya. Efimov and Yu.I. Naberukhin. About correlation between hydrogen bridge length and OH-group stretching vibration  frequency in hydrogen bonded systems. // Zhurn. Strukturnoi Khimii (Rus.), 12, p. 591-560, 1971.