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  1. Article

    Open Access

    Sub-lattice of Jahn-Teller centers in hexaferrite crystal

    A novel type of sub-lattice of the Jahn-Teller (JT) centers was arranged in Ti-doped barium hexaferrite BaFe12O19. In the un-doped crystal all iron ions, sitting in five different crystallographic positions, are ...

    V. V. Gudkov, M. N. Sarychev, S. Zherlitsyn, I. V. Zhevstovskikh… in Scientific Reports (2020)

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    Article

    Ultrasonic Determination of the Jahn–Teller Effect Parameters in Impurity-Containing Crystals

    A method is developed to determine the symmetry properties of strains and the type of Jahn–Teller effect in crystals with impurity ions in a triply degenerate electronic T state. This method is based on a calcula...

    N. S. Averkiev, I. B. Bersuker, V. V. Gudkov… in Journal of Experimental and Theoretical Ph… (2019)

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    Article

    Determining the Parameters of the Jahn–Teller Effect in Impurity Centers from Ultrasonic Experiments: Application to the ZnSe : Ni2+ Crystal

    The earlier developed methodology of ultrasonic investigation for determining the parameters of the Jahn–Teller effect (JTE) in impurity centers in crystals is further developed in application to Ni2+ impurities ...

    M. N. Sarychev, I. V. Zhevstovskikh, N. S. Averkiev… in Physics of the Solid State (2019)

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    Article

    Relaxation and resonance ultrasound attenuation by Jahn-Teller centers in a GaAs:Cu crystal

    The interaction of ultrasound with CuGa4As in a GaAs:Cu crystal has been experimentally studied. The temperature dependences of the attenuation of all normal ultrasonic modes propagating in the 〈110〉 direction bo...

    N. S. Averkiev, K. A. Baryshnikov, I. B. Bersuker, V. V. Gudkov… in JETP Letters (2012)

  5. No Access

    Chapter

    Experimental Evaluation of the Jahn-Teller Effect Parameters by Means of Ultrasonic Measurements. Application to Impurity Centers in Crystals

    A review is presented of the worked out earlier method that uses ultrasonic experiments to evaluate Jahn-Teller effect (JTE) parameters, mostly linear vibronic coupling constants, in application to impurity ce...

    V. V. Gudkov, I. B. Bersuker in Vibronic Interactions and the Jahn-Teller Effect (2012)

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    Chapter

    Reformulation of the Concept of Jahn-Teller Vibronic Coupling Effects in Theoretical Chemistry

    Per-Olov Lowdin understood the role and place of vibronic coupling effects in theoretical chemistry at early stages of development of this trend. We met first in 1976, and he invited me to prepare a review of ...

    I. B. Bersuker in Fundamental World of Quantum Chemistry (2004)

  7. No Access

    Chapter

    Nondegenerate Ground Vibronic States in the Linear T⊗(e+t2) Jahn-Teller Problem

    A detailed treatment of the ground vibronic states in the linear T⊗(e+t 2 ) Jahn-Teller problem is presented. It is found that there is a parameter range for which the...

    G. Bevilacqua, I. B. Bersuker, L. Martinelli in Vibronic Interactions: Jahn-Teller Effect … (2001)

  8. No Access

    Article

    Electronic (vibronic) origin of configurational symmetry breaking in condensed media

    We have attempted to describe all symmetry breaking (structural phase transformations) in condensed matter from a unified point of view as electronically-controlled through vibronic interactions. In this case,...

    I. B. Bersuker in Theoretical and Experimental Chemistry (1991)

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    Article

    Dependence of viscosity of organic nonassociated liquids on structural and conformational characteristics of the molecules

    Semiempirical equations are obtained for the dependence of the viscosity of organic nonassociated liquids on the structural and conformational characteristics of the molecules. The equations are used to comput...

    M. Yu. Gorbachev, I. B. Bersuker, A. S. Dimoglo in Theoretical and Experimental Chemistry (1990)

  10. No Access

    Article

    Electronic and topological investigation of growth-regulating activity in the series of abscisic acid analogs

    The structure-reactivity relationship in the series of abscisic acid analogs was investigated by means of the electronic structure parameters. The fragments of the molecules responsible for the activity (inact...

    A. S. Dimoglo, I. B. Bersuker, D. P. Popa… in Theoretical and Experimental Chemistry (1990)

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    Article

    Electronic and vibronic structure of coordination compounds: On the path to molecular electronics

    I. B. Bersuker, S. A. Borshch in Journal of Structural Chemistry (1989)

  12. No Access

    Article

    Vibronic effects and exchange interaction in dinuclear clusters

    A study was made on exchange in dinuclear clusters, which contain centers having degenerate or pseudodegenerate states. The semiclassical approximation was used to examine the temperature dependence of the exc...

    B. G. Vekhter, I. B. Bersuker in Theoretical and Experimental Chemistry (1988)

  13. No Access

    Article

    Vibronic coupling to T1 and T2 vibrations and the Jahn-Teller effect in transition-metal exchange tetraclusters

    A study has been made on the four-center Jahn-Teller effect in tetrahedral transition-metal tetraclusters of M4X4L4 and M4OX6L4 types (M metal, X and L ligands) for twofold orbital degeneracy at each of the four ...

    L. F. Chibotaru, V. Z. Polinger, I. B. Bersuker in Theoretical and Experimental Chemistry (1988)

  14. No Access

    Article

    Electron topology investigation of the structure-activity relationship in the series of α-chymotrypsin inhibitors

    A. S. Dimoglo, M. Yu. Gorbachev, Yu. M. Chumakov… in Pharmaceutical Chemistry Journal (1988)

  15. No Access

    Article

    Effects of carbonyl-group geometrical parameters on carboxylic-acid dissociation constants in aqueous solution

    CNDO/2 has provided a correlation giving the carboxylic-acid ionization constants in aqueous solution on the basis of known OCO bond angles in the carboxyl groups. It is shown that the equation can be used to ...

    M. Yu. Gorbachev, I. B. Bersuker in Theoretical and Experimental Chemistry (1988)

  16. No Access

    Article

    Role of electronic and structural factors in the origin of ambergris-type odors in cyclic compounds

    The relationship between the electronic structure and odorant properties of organic compounds has been investigated. The conclusion previously drawn in [1] regarding the electronic-topological features charact...

    M. Yu. Gorbachev, A. S. Dimoglo, I. B. Bersuker… in Theoretical and Experimental Chemistry (1986)

  17. No Access

    Article

    Effects of the exchange interaction in the vibronic theory of mixed-valence dimers

    S. A. Borshch, I. N. Kotov, I. B. Bersuker in Theoretical and Experimental Chemistry (1985)

  18. No Access

    Article

    Influence of structural and electronic properties of uranyl derivatives on the inhibition of thymidine phosphorylase

    A. S. Dimoglo, M. Yu. Gorbachev, I. B. Bersuker in Pharmaceutical Chemistry Journal (1985)

  19. No Access

    Article

    Electronic structure and coordination to DNA fragments for coordination compounds of Cu(II) with amino-acids of composition CuA′A″

    The MWH method has been used in calculations on the electronic structures of compounds of copper(II) with α-amino-acids CuGLY(L-Ser), Cu(L-Alan)(L-Ser), CuGly2·H2O, as well as for the free amino-acids: alanine, g...

    S. S. Budnikov, S. V. Donu, L. F. Chapurina… in Theoretical and Experimental Chemistry (1985)

  20. No Access

    Article

    Correlation between the structure and biological activity in a series of steroid glycosides

    A. S. Dimoglo, I. N. Choban, I. B. Bersuker… in Pharmaceutical Chemistry Journal (1985)

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