Proton-lattice coupling and vibronic effects in KDP-family thermodynamics
Levin, A A, Dolin, S P, Mikhailova, T Yu, Solin, M V
Published in Journal of physics. Conference series (01.01.2013)
Published in Journal of physics. Conference series (01.01.2013)
Get full text
Journal Article
A Nonempirical Study of Oxygen Adsorption on the (011) In2O3 Surface
Kurmangaleev, K. S., Mikhailova, T. Yu, Trakhtenberg, L. I.
Published in Inorganic materials (01.03.2022)
Published in Inorganic materials (01.03.2022)
Get full text
Journal Article
Possibilities of Quantum-Chemical Modeling of Domain Boundaries in the Cluster Approximation of the Ising Model for Materials of the Potassium Dihydrogen Phosphate Family
Dolin, S. P., Mikhailova, T. Yu, Breslavskaya, N. N.
Published in Russian journal of inorganic chemistry (01.08.2022)
Published in Russian journal of inorganic chemistry (01.08.2022)
Get full text
Journal Article
Attempt of Quantum Chemical Modeling of the Structural Phase Transition in the Quasi-One-Dimensional H-Bonded Ferroelectric Crystal of CsH2PO4 and Its Deuterated Analog CsD2PO4
Dolin, S. P., Mikhailova, T. Yu, Breslavskaya, N. N.
Published in Russian journal of inorganic chemistry (2020)
Published in Russian journal of inorganic chemistry (2020)
Get full text
Journal Article
Oxygen Chemisorption on the Surface of an In2O3 (011) Nanocrystal
Kurmangaleev, K. S., Mikhailova, T. Yu, Trakhtenberg, L. I.
Published in Inorganic materials (01.11.2020)
Published in Inorganic materials (01.11.2020)
Get full text
Journal Article
On the possibility of quantum-chemical cluster approach to the description of structural phase transition in H-bonded materials on the example of KDP
Dolin, S. P., Mikhailova, T. Yu, Breslavskaya, N. N., Levin, A. A.
Published in International journal of quantum chemistry (05.02.2016)
Published in International journal of quantum chemistry (05.02.2016)
Get full text
Journal Article
Effect of the Hydrostatic Pressure on the Thermodynamics of Structural Phase Transition in Quasi-One-Dimensional Ferroelectrics Pb(H/D)PO4: Quantum Chemical Analysis
Dolin, S. P., Mikhailova, T. Yu, Breslavskaya, N. N.
Published in Russian journal of inorganic chemistry (2018)
Published in Russian journal of inorganic chemistry (2018)
Get full text
Journal Article
Comparative Quantum-Chemical Analysis of the Structure and Relative Stability of Oxyanions of Main-Group Elements of the Second and Third Periods
Baranov, N. I., Bozhenko, K. V., Breslavskaya, N. N., Mikhailova, T. Yu, Dolin, S. P.
Published in Russian journal of inorganic chemistry (01.03.2019)
Published in Russian journal of inorganic chemistry (01.03.2019)
Get full text
Journal Article
Quantum-chemical simulation of the elementary step of the oxidation reactions of styrene and its derivatives involving 1О2 (1Δg)
Breslavskaya, N. N., Dolin, S. P., Markov, A. A., Mikhailova, T. Yu, Moiseeva, N. I., Gekhman, A. E.
Published in Russian journal of inorganic chemistry (2016)
Published in Russian journal of inorganic chemistry (2016)
Get full text
Journal Article
Quantum-chemical simulation of unit process for the oxidation reactions of ethylene and its derivatives invoving 1O2 (1Δg)
Breslavskaya, N. N., Dolin, S. P., Markov, A. A., Mikhailova, T. Yu, Moiseeva, N. I., Gekhman, A. E.
Published in Russian journal of inorganic chemistry (2016)
Published in Russian journal of inorganic chemistry (2016)
Get full text
Journal Article
Low-temperature structural phase transitions in crystalline bromo and iodo 9-hydroxyphenalenone derivatives: Quantum chemistry employment
Dolin, S. P., Khrulev, A. A., Polyakov, E. V., Mikhailova, T. Yu, Levin, A. A.
Published in International journal of quantum chemistry (2006)
Published in International journal of quantum chemistry (2006)
Get full text
Journal Article
DFT modeling of reaction of H2 with O2 pre-adsorbed on In2O3(011) surface
Kurmangaleev, K.S., Mikhailova, T.Yu, Polunin, K.S., Ilegbusi, O.J., Trakhtenberg, L.I.
Published in Chemical physics letters (01.12.2024)
Published in Chemical physics letters (01.12.2024)
Get full text
Journal Article