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Publications: 90 First-Principles Characterization of the Energy Landscape and Optical Spectra of Green Fluorescent Protein along the A->I->B Proton Transfer Route Grigorenko B, Nemukhin A, Polyakov I, Morozov D, Krylov A // JOURNAL OF AMERICAN CHEMICAL SOCIETY, Articles ASAP 89 Triple-Decker Motif for Red-Shifted Fluorescent Protein Mutants Grigorenko B, Nemukhin A, Polyakov I, Krylov A // JOURNAL OF PHYSICAL CHEMISTRY LETTERS V4, N10, P1743-1747 (2013) 88 Unusual Emitting States of the Kindli Cationic Chromophore Grigorenko B, Polyakov I, Nemukhin CHEMISTRY B V117, N24, P7228-7234 ng Fluorescent Protein: Appearance of the in the GFP Family A, Savitsky A // JOURNAL OF PHYSICAL (2013)

87 On quantum mechanical - molecular mechanical (QM/MM) approaches to model hydrolysis of acetylcholine by acetylcholinesterase Nemukhin A, Grigorenko B, Morozov D, Kochetov M, Lushchekina S, Varfolomeev S // CHEMICO-BIOLOGICAL INTERACTIONS V203, N1 , P51-56 (2013) 86 Towards quantum-based modeling of enzymatic reaction pathways: Application to the acetylholinesterase catalysis Polyakov I, Grigorenko B, Moscovsky A, Pentkovski V, Nemukhin A // CHEMICAL PHYSICS LETTERS V556, P251-255 (2013) 85 Toward Molecular-Level Characterization of Photoinduced Decarboxylation of the Green Fluorescent Protein: Accessibility of the Charge-Transfer States Grigorenko B, Nemukhin A, Morozov D, Polyako I, Bravaya K, Krylov A // JOURNAL OF CHEMICAL THEORY AND COMPUTATION V8, N6 , P1912-1920 (2012) 84 Minimum energy reaction profiles for the hydrolysis reaction of the cyclic guanosine monophosphate in water: Comparison of the results of two QM/MM approaches Morozov D, Khrenova M, Andrijchenko N, Grigorenko B, Nemukhin A // COMPUTATIONAL AND THEORETICAL CHEMISTRY V983 88-94 (2012) 83 Quantum Chemistry Behind Bioimaging: Insights from Ab Initio Studies of Fluorescent Proteins and Their Chromophores Bravaya KB,Grigorenko BL, Nemukhin AV, Krylov AI // ACCOUNTS OF CHEMICAL RESEARCH, 2012, V45, P265-275 82 Minimum energy reaction profiles for ATP hydrolysis in myosin Grigorenko BL, Kaliman IA, Nemukhin AV // JOURNAL OF MOLECULAR GRAPHICS & MODELLING V31, P1-4 (2011) 81 Conformational Partitioning in pH-Induced Fluorescence of the Kindling Fluorescent Protein (KFP) Rusanov AL, Mironov VA, Goryashenko AS, Grigorenko BL, Nemukhin AV, Savitsky AP // JOURNAL OF PHYSICAL CHEMISTRY B V115, N29, P9195-9201 (2011)


80 Coupling between the BLUF and EAL domains in the blue light-regulated phosphodiesterase BlrP1 Khrenova, M, Domratcheva, T, Grigorenko B, Nemukhin A // JOURNAL OF MOLECULAR MODELING V17, N7, P1579-1586, (2011) 79 Effect of Protein Environment on Electronically Excited and Ionized States of the Green Fluorescent Protein Chromophore Bravaya KB, Khrenova MG, Grigorenko BL, Nemukhin AV, Krylov AI //JOURNAL OF PHYSICAL CHEMISTRY B V115, N25, P8296-8303 (2011) 78 Computational Characterization of Reaction Intermediates in the Photocycle of the Sensory Domain of the AppA Blue Light Photoreceptor Khrenova M, Domratcheva T, Schlichting I, Grigorenko B, Nemukhin A// PHOTOCHEMISTRY AND PHOTOBIOLOGY V87, N3, P564-573 (2011) 77 Quantum Chemistry Calculations Provide Support to the Mechanism of the LightInduced Structural Changes in the Flavin-Binding Photoreceptor Proteins Khrenova MG, Nemukhin AV , Grigorenko BL, Krylov AI, Domratcheva TM// JOURNAL OF CHEMICAL THEORY AND COMPUTATION V6, N8 , P2293-2302 (2010) 76 Potential Energy Landscape of the Electronic States of the GFP Chromophore in Different Protonation Forms: Electronic Transition Energies and Conical Intersections Polyakov IV, Grigorenko BL, Epifanovsky EM, Krylov AI, Nemukhin AV //JOURNAL OF CHEMICAL THEORY AND COMPUTATION V6, N8, P2377-2387 (2010) 75 Modeling of the mechanism of hydrolysis of succinylcholine in the active site of native and modified (Asp70Gly) human butyrylcholinesterase Lushchekina SV, Grigorenko BL, Morozov DI, Polyakov IV, Nemukhin AV, Varfolomeev SD// RUSSIAN CHEMICAL BULLETIN V59, N1, P55-60 (2010) 74 Structural forms of green fluorescent protein by quantum mechanics/molecular mechanics calculations Grigorenko BL, Polyakov IV, Savitskii AP, Nemukhin AV// RUSSIAN CHEMICAL BULLETIN V59, N1, P61-65 (2010) 73 The effect of oxidation on the electronic structure of the green fluorescent protein chromophore Epifanovsky E, Polyakov I, Grigorenko B, Nemukhin A, Krylov AI // JOURNAL OF CHEMICAL PHYSICS V132, N 11 Article Number: 115104 (2010) 72 Biochemical evidence for the tyrosine involvement in cationic intermediate stabilization in mouse -carotene 15, 15 '-monooxygenase Poliakov E, Gentleman S, Chander P, Cunningham Jr FX, Grigorenko BL, Nemukhin AV, Redmond TM // BMC BIOCHEMISTRY V10 Article Number 31 (2009) 71 On photoabsorption of the neutral form of the green fluorescent protein chromophore Topol I, Collins J, Polyakov I, Grigorenko B, Nemukhin A // BIOPHYSICAL CHEMISTRY V145, N1, P1-6 (2009)


70 Simulated O-18 Kinetic Isotope Effects in Enzymatic Hydrolysis of Guanosine Triphosphate Nemukhin AV, Shadrina MS, Grigorenko B, Du X // BIOCHEMISTRY-MOSCOW V74, N9, P1044-1048 (2009) 69 Conformation-Dependent Chemical Reaction of Formic Acid with an Oxygen Atom Khriachtchev L, Domanskaya A, Marushkevich K, Rasanen M, Grigorenko B, Ermilov A, Andrijchenko N, Nemukhin AV // JOURNAL OF PHYSICAL CHEMISTRY A V113, N29, P8143-8146 (2009) 68 Quantum Chemical Benchmark Studies of the Electronic Properties of the Green Fluorescent Protein Chromophore. 1. Electronically Excited and Ionized States of the Anionic Chromophore in the Gas Phase Epifanovsky E, Polyakov I,Grigorenko B, Nemukhin A, Krylov A // JOURNAL OF CHEMICAL THEORY AND COMPUTATION V5, N7, P1895-1906 (2009) 67 Quantum Chemical Benchmark Studies of the Electronic Properties of the Green Fluorescent Protein Chromophore: 2. Cis-Trans Isomerization in W ater Polyakov I, Epifanovsky E, Grigorenko BL, Krylov AI, Nemukhin AV // JOURNAL OF CHEMICAL THEORY AND COMPUTATION V5, N7, P1907-1914 (2009) 66 Opening the Arg-Glu salt bridge in myosin: computational study Kaliman IA, Grigorenko BL, Shadrina MS, Nemukhin AV // PHYSICAL CHEMISTRY CHEMICAL PHYSICS V11, N24, P4804-4807 (2009) 65 Mechanism of the chemical step for the guanosine triphosphate (GTP) hydrolysis catalyzed by elongation factor Tu Grigorenko BL, Shadrina MS, Topol IA, Collins JR, Nemukhin AV // BIOCHIMICA ET BIOPHYSICA ACTA-PROTEINS AND PROTEOMICS V 1784, N12, P1908-1917 (2008) 64 Conformation dependence of pK(a)'s of the chromophores from the purple asFP595 and yellow zFP538 fluorescent proteins Nemukhin AV, Topol IA, Grigorenko BL, Savitsky AP // JOURNAL OF MOLECULAR STRUCTURE-THEOCHEM V863, N1-3, P39-43 (2008) 63 Mechanisms of enzymatic hydrolysis of nucleoside triphosphates by quantum and molecular mechanics Nemukhin AV, Grigorenko BL, Shadrina MS // RUSSIAN JOURNAL OF GENERAL CHEMISTRY V78, N4, P696-703 (2008) 62 Theoretical characterization of the 1,3-diazaazulene molecule and its derivatives Bravaya KB, Grigorenko BL, Nemukhin AV, Zhu YJ, Zhang JP // JOURNAL OF MOLECULAR STRUCTURE-THEOCHEM V855, N1-3, P40-44 (2008) 61 Molecular models predict light-induced glutamine tautomerization in BLUF photoreceptors Domratcheva T, Grigorenko BL, Schlichting I, Nemukhin AV // BIOPHYSICAL JOURNAL V94, N10, P3872-3879 (2008)


60 P E P A

hotochemical synthesis of H2O2 from the H2O : O(3P) van der W aals xperimental observations in solid krypton and theoretical ehkonen S, Marushkevich K, Khriachtchev L, Rasanen M Grigorenko BL, V // JOURNAL OF PHYSICAL CHEMISTRY A V111, N45, P11444-11449 (

complex: modeling Nemukhin 2007)

59 Mechanism of the myosin catalyzed hydrolysis of ATP as rationalized by molecular modeling Grigorenko BL, Rogov AV Topol IA, Martinez H, Burt S, Nemukhin AV // PROCEEDINGS OF THE NATIONAL ACADEMY OF SCIENCES (USA) V104, N17, P7057-7061 (2007) 58 Mechanisms of guanosine triphosphate hydrolysis by Ras and Ras-GAP proteins as rationalized by ab initio QM/MM simulations Grigorenko BL, Nemukhin AV, Shadrina MS, Topol IA, Burt S // PROTEINSSTRUCTURE FUNCTION AND BIOINFORMATICS V66, N2, P456-466 (2007) 57 Ground-state structures and vertical excitations for the kindling fluorescent protein asFP595 Grigorenko BL, Savitsky AP, Topol IA, Burt S, Nemukhin AV // JOURNAL OF PHYSICAL CHEMISTRY B V110, N37, P18635-18640 (2006) 56 Molecular modeling the reaction mechanism of serine-carboxyl peptidases Bravaya KB, Bochenkova AV, Grigorenko BL, Topol IA, Burt S, Nemukhin AV // JOURNAL OF CHEMICAL THEORY AND COMPUTATION V2, N4,P1168-1175 (2006) 55 Modeling dioxygen binding to the non-heme iron-containing enzymes Nemukhin AV, Grigorenko BL, Topol IA, Burt S // INTERNATIONAL JOURNAL OF QUANTUM CHEMISTRY V106, N10, P2184-2190 (2006) 54 Trans- and cis- chrornophore structures in the kindling fluorescent protein asFP595 Grigorenko BL, Savitsky AP, Topol IA Burt S, Nemukhin AV // CHEMICAL PHYSICS LETTERS V424, N1-3, P184-188 (2006) 53 Mechanism of triphosphate hydrolysis in aqueous solution: QM/MM simulations in water clusters Grigorenko BL, Rogov AV, Nemukhin AV // JOURNAL OF PHYSICAL CHEMISTRY B V110, N9, P4407-4412 (2006) 52 Computational study of a transition state RasGAP complex: Grigorenko BL, Nemukhin AV, Cachau MOLECULAR MODELING V11, N6, P503analog of phosphoryl transfer in the RasAl F x versus MgF3RE, Topol IA, Burt SK // JOURNAL OF 508 (2005)

51 QM/MM modeling the Ras-GAP catalyzed hydrolysis of guanosine triphosphate Grigorenko BL, Nemukhin AV, Topol IA, Cachau RE, Burt SK // PROTEINSSTRUCTURE FUNCTION AND BIOINFORMATICS V60, N3, P495-503 (2005) 50 Quantum chemical modeling of the GTP hydrolysis by the RAS-GAP protein complex Topol IA, Cachau RE, Nemukhin AV, Grigorenko BL, Burt SK // BIOCHIMICA ET


BIOPHYSICA ACTA - PROTEINS AND PROTEOMICS V1700, N1, P125-136 (2004) 49 A simulation of the reaction between glutathion and the hydroxymethyl radical in water by combined quantum and molecular mechanics methods Nemukhin AV, Grigorenko BL, Knyazeva MA // RUSSIAN JOURNAL OF PHYSICAL CHEMISTRY V78, N6, P888-895 (2004) 48 Modeling of serine protease prototype reactions with the flexible effective fragment potential quantum mechanical/molecular mechanical method Nemukhin AV, Grigorenko BL, Rogov AV, Topol IA, Burt SK // THEORETICAL CHEMISTRY ACCOUNTS V111, N1, P36-48 (2004) 47 QM/MM modeling of the glutathione-hydroxymethyl radical reaction in watery Nemukhin AV, Grigorenko BL, Topol IA, Burt SK // PHYSICAL CHEMISTRY CHEMICAL PHYSICS V6, N5, P1031-1038 (2004) 46 Structures of the peptide-water complexes studied by the hybrid quantum mechanicalmolecular mechanical (QM/MM) technique Nemukhin AV, Grigorenko BL, Bochenkova AV, Kovba VM, Epifanovsky EM // STRUCTURAL CHEMISTRY V15, N1, P3-9 (2004) 45 Flexible effective fragment QM/MM method: Validation through the challenging tests Nemukhin AV, Grigorenko BL, Topol IA, Burt SK // JOURNAL OF COMPUTATIONAL CHEMISTRY V24, N12, P1410-1420 (2003) 44 Quantum chemical simulations of the proton transfer in water wires attached to molecular walls Nemukhin AV, Grigorenko BL, Topol IA, Burt SK // JOURNAL OF PHYSICAL CHEMISTRY B V107, N13, P2958-2965 (2003) 43 Modeling of biomolecular mechanical method based flexible Grigorenko BL, Nemukhi CHEMISTRY A V106, N44, systems with the quantum mechanical and molecular on the effective fragment potential technique: Proposal of fragments n AV, Topol IA, Burt SK // JOURNAL OF PHYSICAL P10663-10672 (2002)

42 Intermolecular complexes of HXeOH with water: Stabilization and destabilization effects Nemukhin AV, Grigorenko BL, Khriachtchev L, Tanskanen H, Pettersson M, Rasanen M // JOURNAL OF THE AMERICAN CHEMICAL SOCIETY V124, N36, P10706-10711 (2002) 41 A QM/MM approach with effective fragment potentials applied to the dipeptide-water structures Nemukhin AV, Grigorenko BL, Bochenkova AV, Topol IA, Burt SK // JOURNAL OF MOLECULAR STRUCTURE (THEOCHEM) V581, P167-175 (2002) 40 On the origin of potential barrier for the reaction OH-+CO2 -> HCO3- in water: Studies by using continuum and cluster solvation methods Nemukhin AV, Topol IA, Grigorenko BL, Burt SK // JOURNAL OF PHYSICAL


CHEMISTRY B V106, N7, P1734-1740 (2002) 39 Emission of SH radicals in solid krypton: mixed quantum-classical molecular dynamics simulations Firsov DA, Grigorenko BL, Nemukhin AV, Khriachtchev LY, Rasanen MO // CHEMICAL PHYSICS LETTERS V338, N4-6, P317-322 (2001) 38 Formation of mixed d- and f-block metal clusters in inert matrices: comparison of the observed and theoretical optical spectra of AgHo Klotzbucher W E, Petrukhina MA, Nemukhin AV, Ermilov AY, Grigorenko BL // SPECTROCHIMICA ACTA PART A-MOLECULAR AND BIOMOLECULAR SPECTROSCOPY V57, N5, P1093-1101 (2001) 37 Calculations of the vibrational spectrum and dynamics of the ArHF complex with a semiempirical potential energy surface Buchachenko AA, Grigorenko BL, Nemukhin AV, Stepanov NF // RUSSIAN JOURNAL OF PHYSICAL CHEMISTRY V75, N3, P336-342 (2001) 36 Structures of the medium-size hydrogen fluoride clusters Moskovsky AA, Grigorenko BL, Granovsky AA, Nemukhin AV // RUSSIAN JOURNAL OF PHYSICAL CHEMISTRY V74, PS228-S236 (2000) 35 New approach for the calculation of energy potential surface of molecular clusters Grigorenko BL, Skasirskaya EY, Knuazeva MA, Nemukhin AV // IZVESTIYA AKADEMII NAUK SERIYA FIZICHESKAYA V64, N8, P1502-1505 (2000) 34 Hydrogen bonding at the diatomics-in-molecules level: W ater clusters Grigorenko BL, Nemukhin AV, Topol IA, Burt SK // JOURNAL OF CHEMICAL PHYSICS V113, N7, P2638-2647 (2000) 33 An analysis of stationary points on the (HF)n
systems potential surfaces (n<=6) predicted by the diatomics-in-ionicmodel

Grigorenko BL, Moskovsky AA, Nemukhin AV // JOURNAL OF MOLECULAR STRUCTURE (THEOCHEM) V498, P47-60 (2000)

32 A new hybrid approach for modeling reactions in molecular clusters: Application for the hydrogen bonded systems Nemukhin AV, Grigorenko BL, Skasyrskaya EY, Topol IA, Burt SK // JOURNAL OF CHEMICAL PHYSICS V112, N2, P513-521 (2000) 31 Diatomics-in-ionic-systems and ab initio predictions for the stationary points on potential energy surfaces of the (HF)n clusters (n=3-6) Grigorenko BL, Moskovsky AA, Nemukhin AV // JOURNAL OF CHEMICAL PHYSICS V111, N10, P4442-4452 (1999) 30 ArHF vibrational predissociation dynamics using the diatomics-in-molecule potential energy surface Buchachenko AA, Stepanov NF, Grigorenko BL, Nemukhin AV // JOURNAL OF CHEMICAL PHYSICS V111, N6, P2470-2477 (1999) 29 Excited-state site effects in luminescence spectroscopy of SH radicals in krypton matrices: Experiment and simulations


Grigorenko BL, Khriachtchev L, Nemukhin AV, Petterson M, Isoniemi E, Rasanen M // JOURNAL OF CHEMICAL PHYSICS V110, N12, P5836-5843 (1999) 28 Ab initio potential curves of the fragments and diatomics-in-molecules potential energy surfaces for the SH center dot center dot center dot Kr complex Nemukhin AV, Grigorenko BL, Granovsky AA // CHEMICAL PHYSICS LETTERS V301, N3-4, P287-296 (1999) 27 MD-DIM simulations of the 3Pg(ion-pair)->3Pu(valence) red-shifted transitions of Cl2 in neon matrices Grigorenko BL, Nemukhin AV, Ozhegova NV // CHEMICAL PHYSICS LETTERS V296, N1-2, P84-92 (1998) 26 Molecular dynamics of clusters with potential energy surfaces by the method of twoatomic fragments Grigorenko BL, Nemukhin AV, Ozhegova NV, Knyazeva MA // IZVESTIYA AKADEMII NAUK SERIYA FIZICHESKAYA V62, N6, P1164-1168 (1998) 25 Charge localization and fragmentation dynamics of ionized helium clusters Ovchinnikov M, Grigorenko BL, Janda KC, Apkarian VA // JOURNAL OF CHEMICAL PHYSICS V108, N22, P9351-9361 (1998) 24 Towards quantitative diatomics-in-molecules model for the water molecule Grigorenko BL, Nemukhin AV, Apkarian VA // CHEMICAL PHYSICS V232, N3, P321-328 (1998) 23 Calculations of the structure of ArnHF clusters in terms of a DM potential of ArHF Grigorenko BL, Nemukhin AV, Sultanov VB // CHEMICAL PHYSICS REPORTS V16, N12, P2101-2109 (1997) 22 Hydrogen bonding described through diatomics-in-ionic-systems: The HF dimer Grigorenko BL, Nemukhin AV, Apkarian VA // JOURNAL OF CHEMICAL PHYSICS V108, N11, P4413-4425 (1998) 21 Simulation of lithium fragment vibrations in graphite intercalates Nemukhin AV, Ozhegova NV, Ermilov AY, Grigorenko BL // ZHURNAL FIZICHESKOI KHIMII V71, N9, P1656-1659 (1997) 20 Modeling the spectra of matrix-isolated molecules Nemukhin AV, Grigorenko BL, Ozhegova NV // JOURNAL OF STRUCTURAL CHEMISTRY V38, N2, P207-211 (1997) initio potential functions for the ionic states of OH 19 Ab Nemukhin AV, Grigorenko BL // CHEMICAL PHYSICS LETTERS V276, N3-4, P171176 (1997) 18 Molecular dynamics of small magnesium clusters in argon matrices Nemukhin AV, Grigorenko BL, Ozhegova NV // CHEMICAL PHYSICS REPORTS V16, N1, P77-83 (1997) 17 Inclusion of ion-pair states in the diatomics-in-molecules description of potential


energy surfaces: van der W aals complexes of He-Cl2 and Ar-Cl2 Grigorenko BL, Nemukhin AV, Apkarian VA // CHEMICAL PHYSICS V219, N2-3, P161-172 (1997) 16 Simulation of the properties of lithium clusters in argon matrices Nemukhin AV, Grigorenko BL, Ozhegova NV // ZHURNAL FIZICHESKOI KHIMII V71, N2, P306-309 (1997) 15 Modelling trapping sites of (HF)2 in argon clusters Grigorenko BL, Nemukhin AV // CHEMICAL PHYSICS LETTERS V270, N1-2, P103107 (1997) 14 Diatomics-in-molecules description of the Rg-Hal2 rare gas halogen van der W aals complexes with applications to He-Cl2 Grigorenko BL, Nemukhin AV, Buchachenko AA, Stepanov NF, Umanskii SY, Nemukhin AV, Buchachenko AA, Stepanov NF, Umanskii SY // JOURNAL OF CHEMICAL PHYSICS V106, N11, P4575-4588 (1997) 13 Modeling properties of the HF dimer in argon clusters Nemukhin AV, Grigorenko BL // INTERNATIONAL JOURNAL OF QUANTUM CHEMISTRY V62, N1, P55-65 (1997) 12 Many-body potentials and dynamics based on diatomics-in-molecules: Vibrational frequency shifts in ArnHF (n=1-12,62) clusters Grigorenko BL, Nemukhin AV, Apkarian VA // JOURNAL OF CHEMICAL PHYSICS V104, N14, P5510-5516 (1996) 11 Theoretical vibrational spectrum of (HF)2 in argon matrices Nemukhin AV, Grigorenko BL, Savin AV // CHEMICAL PHYSICS LETTERS V250, N2, P226-231 (1996) 10 Inert matrix effects on properties of matrix isolated molecules Nemukhin AV, Grigorenko BL, Sergeev GB // VESTNIK MOSKOVSKOGO UNIVERSITETA, SERIYA 2: KHIMIYA V36, N4, P379-382 (1995) 9 Simulations of krypton matrix effects on the electronic spectrum of Na2 Nemukhin AV, Grigorenko BL, Sergeev GB // CANADIAN JOURNAL OF PHYSICS V72, N11-12, P909-912 (1994) Properties of the NBr molecule in argon clusters Nemukhin AV, Grigorenko BL // CHEMICAL PHYSICS LETTERS V233, N5-6, P627631 (1995) Effect of argon atoms on charge distributions in small lithium clusters Grigorenko BL, Nemukhin AV, Sergeev GB, Stepanyuk VS, Szasz A // PHYSICAL REVIEW B V50, N24, P18666-18669 (1994) Computer modeling of small clusters in nickel-phosphorus systems Stepanyuk VS, Grigorenko BL, Szasz A, Katznelson AA, W atson LM // JOURNAL OF NON-CRYSTALLINE SOLIDS V176, N2-3, P133-139 (1994)

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Structure of metal-metalloid clusters Stepanyuk VS, Grigorenko BL, Katsnelson AA // FIZIKA TVERDOGO TELA V34, N3, P765-768 (1992) On the electronic structure of small Ni-P clusters Stepanyuk VS, Szasz A, Katznelson AA, Grigorenko BL // PHYSICA STATUS SOLIDI B V160, N1, P219-224 (1990) Electronic structure simulation of amorphous Ni-P system Stepanyuk VS, Grigorenko BL, Katznelson AA, Szasz A, Farberovich OV // VESTNIK MOSKOVSKOGO UNIVERSITETA, SERIYA 3: FIZIKA, ASTRONOMIYA V31, N4, P95-97 (1990) Electronic band structure calculations of MgO containing F+-centers and F-centers Stepanyuk VS, Grigorenko BL, Katznelson AA, Farberovich OV, Mikhailin VV // FIZIKA TVERDOGO TELA V32, N2, P588-592 (1990) Electronic structure and optical properties of MgO: Band structure calculation and cluster model Stepanyuk VS, Szasz A, Grigorenko BL, Farberovich OV, Katznelson AA // PHYSICA STATUS SOLIDI B V155, N1, P179-184 (1989)

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