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
Possibilities of a Simplified Approach to Studying the Features of Structural Phase Transitions in H-Bonded Ferroelectrics with the use of Ab Initio Calculations
Dolin, S. P., Mikhaylova, T. Yu, Breslavskaya, N. N.
Published in Russian journal of inorganic chemistry (01.05.2021)
Published in Russian journal of inorganic chemistry (01.05.2021)
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
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
Temperature and pressure dependences of tunneling rate constant: density-functional theory potential-energy surface for H-atom transfer in the fluorene-acridine system
Trakhtenberg, L I, Fokeyev, A A, Dolin, S P, Mebel, A M, Lin, S H
Published in The Journal of chemical physics (15.09.2005)
Published in The Journal of chemical physics (15.09.2005)
Get more information
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
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
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
Comparative quantum chemical study of cyclic ether-water complexes
Rodnikova, M. N., Breslavskaya, N. N., Solonina, I. A., Dolin, S. P., Val’kovskaya, T. M.
Published in Russian journal of inorganic chemistry (01.02.2013)
Published in Russian journal of inorganic chemistry (01.02.2013)
Get full text
Journal Article
Aquaperoxovanadium(V) complexes: Quantum-chemical study
Markov, A. A., Dolin, S. P., Moiseeva, N. I., Gekhman, A. E., Moiseev, I. I.
Published in Russian journal of inorganic chemistry (01.05.2011)
Published in Russian journal of inorganic chemistry (01.05.2011)
Get full text
Journal Article