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АвторыНазваниеГодЖурналDOI
Khrenova M.G., Solovyev I.D., Azev V.N., Lapshin G.D., Savitsky A.P.Oxoethylene derivative of the natural substrate as an inhibitor of matrix metalloproteinase MMP-22016Mendeleev Communications10.1016/j.mencom.2016.05.009

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АвторыНазваниеГодЖурналDOI
Grigorenko Bella L., Knyazeva Marina A., Nemukhin Alexander V.Analysis of proton wires in the enzyme active site suggests a mechanism of c-di-GMP hydrolysis by the EAL domain phosphodiesterases2016Proteins: Structure, Function and Bioinformatics10.002/prot.25108
Хренова М.Г., Коц Е.Д., Кулакова А.М., Поляков И.В.Моделирование реакции гидролиза гуанозинтрифосфата белковом комплексе RAS GAP2016Вестник Московского университета. Серия 2: Химия, том 57, № 1, с. 7-10
Миронов В.А., Лычко Л.А., Хренова М.Г.Особенности расчетов профилей свободной энергии ферментативных реакций: Гидролиз гуанозинтрифосфата белковым комплексом Ras-GAP2016Вестник Московского университета. Серия 2: Химия,
Khrenova M.G., Solovyev I.D., Azev V.N., Lapshin G.D., Savitsky A.P.Oxoethylene derivative of the natural substrate as an inhibitor of matrix metalloproteinase MMP-22016Mendeleev Communications10.1016/j.mencom.2016.05.009
Григоренко Б.Л., Князева М.А., Поляков И.В., Немухин А.В.Моделирование гидролиза циклического димерного гуанозинмонофосфата фосфодиэстеразами2016Вестник Московского университета. Серия 2. Химия, 57(1):3–6
Khrenova M.G., Grigorenko B.L., Zhang J.P., Wang P., Nemukhin A.V.Computational characterization of the all-atom structure and the calcium binding sites of the LH1-RC core complex from Thermochromatium tepidum2016Journal of Theoretical and Computational Chemistry, том 15, № 3, с. 1650020-1-1650020-12
Vasilevskaya T., Khrenova M.G., Nemukhin A.V., Thiel W.Methodological aspects of QM/MM calculations: A case study on matrix metalloproteinase-22016Journal of Computational Chemistry10.1002/jcc.24395
Kots E.D., Khrenova M.G., Lushchekina S.V., Varfolomeev S.D., Grigorenko B.L., Nemukhin A.V.Modeling the complete catalytic cycle of aspartoacylase2016Journal of Physical Chemistry B10.1021/acs.jpcb.6b02542
Khrenova Maria G., Kots Ekaterina D., Nemukhin Alexander V.Reaction Mechanism of the Guanosine Triphosphate Hydrolysis by the Vision-Related Protein Complex Arl3-RP22016Journal of Physical Chemistry B10.1021/acs.jpcb.6b03363
Vasilevskaya T., Khrenova M.G., Nemukhin A.V., Thiel W.Reaction mechanism of matrix metalloproteinases with a catalytically active zinc ion studied by the QM(DFTB)/MM simulations2016Mendeleev Communications10.1016/j.mencom.2016.05.010
Khrenova M.G., Grigorenko B.L., Nemukhin A.V. Theoretical vibrational spectroscopy of intermediates and the reaction mechanism of the guanosine triphosphate hydrolysis by the protein complex Ras-GAP2016 Spectrochimica Acta - Part A: Molecular and Biomolecular Spectroscopy10.1016/j.saa.2016.04.056
Варфоломеев С.Д., Лущекина С.В., Немухин А.В., Кулакова А.М., Коц Е.Д., Махаева Г.Ф., Делакур Э., Локридж О., Массон П. Молекулярный полиморфизм ферментов человека — основа индивидуальной чувствительности к лекарствам. Суперкомпьютерное моделирование как метод анализа структурных изменений белка и его каталитической активности2016 ИЗВЕСТИЯ АН СССР. СЕРИЯ ХИМИЧЕСКАЯ (Bulletin of the Russian Academy of Sciences. Chemistry), № 6, с. 1592-1607
Goryashchenko A.S., Khrenova M.G., Bochkova A.A., Ivashina T.V., Vinokurov L.M., Savitsky A.P.Genetically Encoded FRET-Sensor Based on Terbium Chelate and Red Fluorescent Protein for Detection of Caspase-3 Activity2015International Journal of Molecular Sciences10.3390/ijms160716642
Mironov Vladimir, Khrenova Maria, Lychko Leonora, Nemukhin AlexanderComputational characterization of the chemical step in the GTP hydrolysis by Ras-GAP for the wild-type and G13V mutated Ras2015Proteins10.1002/prot.24802
Khrenova Maria, Nemukhin Alexander, Tatiana DomratchevaTheoretical Characterization of the Flavin-Based Fluorescent Protein iLOV and Its Q489K Mutant2015Journal of Physical Chemistry B10.1021/acs.jpcb.5b01299
Khrenova M., Topol I., Collins J., Nemukhin A.Estimating Orientation Factors in the FRET Theory of Fluorescent Proteins: The TagRFP-KFP Pair and Beyond2015Biophysical Journal10.1016/j.bpj.2014.11.1859
Khrenova Maria, Grigorenko Bella, Kolomeisky Anatoly, Nemukhin AlexanderHydrolysis of Guanosine Triphosphate (GTP) by the Ras•GAP Protein Complex: Reaction Mechanism and Kinetic Scheme2015Journal of Physical Chemistry B10.1021/acs.jpcb.5b07238
Khrenova Maria, Grigorenko Bella, Mironov Vladimir, Nemukhin AlexanderWhy does mutation of Gln61 in Ras by the nitro analog NGln maintain activity of Ras-GAP in hydrolysis of guanosine triphosphate?2015Proteins: Structure, Function and Bioinformatics10.1002/prot.24927
Grigorenko B.L., Knyazeva M.A., Nemukhin A.V.Modeling C-di-GMP Hydrolysis by Phosphodiesterases with the EAL Domain. Book of2015Book of Abstrcts of International conference
Kulakova A.M., Lushchekina S.V., Grigorenko B.L., Nemukhin A.V.Modeling reactivation of the phosphorylated human butyrylcholinesterase by QM(DFTB)/MM calculations2015Journal of Theoretical and Computational Chemistry
Grigorenko Bella, Nemukhin Alexander, Polyakov Igor, Khrenova Maria, Krylov AnnaA Light-Induced Reaction with Oxygen Leads to Chromophore Decomposition and Irreversible Photobleaching in GFP-type Proteins2015Journal of Physical Chemistry B10.1021/acs.jpcb.5b02271
Немухин А.В., Кулакова А.М., Лущекина С.В., Ермилов А.Ю., Варфоломеев С.Д.Моделирование химических превращений в активных центрах холинэстераз методами квантовой теории2015Вестник Московского университета. Серия 2. Химия
Tatiana Vasilevskaya, Khrenova Maria, Nemukhin Alexander, Walter ThielMechanism of proteolysis in matrix metalloproteinase-2 revealed by QM/MM modeling2015Journal of Computational Chemistry10.1002/jcc.23977
Kulkova E.Yu, Khrenova M.G., Polyakov I.V., Nemukhin A.V.Computer modeling of properties of complex molecular systems2015AIP Conference Proceedings10.1063/1.4912965
Khrenova M.G., Nikiforov A.A., Andrijchenko N.N., Mironov V.A., Nemukhin A.V.The photoreaction mechanism in the bacterial blue light receptor BLUF according to metadynamics modeling2014Moscow University Chemistry Bulletin10.3103/S0027131414040038
Khrenova Maria, Nemukhin Alexander, Grigorenko Bella, Wang Peng, Zhang Jian-PingAll-atom structures and calcium binding sites of the bacterial photosynthetic LH1-RC core complex from Thermochromatium tepidum2014Journal of Molecular Modeling10.1007/s00894-014-2287-4
Григоренко Б.Л., Немухин А.В., Хренова М.Г., Новичкова Д.А.Структура фермент-субстратного комплекса каталитического домена фосфодиэстераз с циклическим дигуанозинмонофосфатом2014Вестник Московского университета. Серия 2. Химия
Khrenova Maria, Savitsky Alexander, Topol Igor, Nemukhin AlexanderExploration of the Zinc Finger Motif in Controlling Activity of Matrix Metalloproteinases2014Journal of Physical Chemistry B10.1021/jp5088702
Qian Cao, Natalya Andrijchenko, Alexander Ermilov, Markku Rasanen, Alexander Nemukhin, Leonid KhriachtchevInteraction of Aromatic Compounds with Xenon: Spectroscopic and Computational Characterization for the Cases of p-Cresol and Toluene2014The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment & general theory
Khrenova Maria, Mironov Vladimir, Grigorenko Bella, Nemukhin AlexanderModeling the role of G12V and G13V Ras mutations in the RasGAP-catalyzed hydrolysis reaction of guanosine triphosphate2014Biochemistry10.1021/bi5011333
Кулакова А.М., Ермилов А.Ю., Поляков И.В., Немухин А.В.Моделирование компонентов ячейки Гретцеля методами квантовой химии2014Наноструктуры. Математическая физика и моделирование
Mironov Vladimir, Bravaya Ksenia, Nemukhin AlexanderOn the Role of Zwitterions in Kindling Fluorescent Protein Photochemistry2014Journal of Physical Chemistry B10.1021/jp5075219
Grigorenko Bella, Khrenova Maria, Nilov Dmitry, Nemukhin Alexander, Švedas VytasCatalytic Cycle of Penicillin Acylase from Escherichia coli: QM/MM Modeling of Chemical Transformations in the Enzyme Active Site upon Penicillin G Hydrolysis Bella2014ACS catalysis10.1021/cs5002898
Andrijchenko N.N., Ermilov A.Yu, Khriachtchev L., Rasanen M., Nemukhin A.V.Toward Molecular Mechanism of Xenon Anesthesia: A Link to Studies of Xenon Complexes with Small Aromatic Molecules2014The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment & general theory10.1021/jp508800k
Немухин А.В., Хренова М.Г., Поляков И.В., Григоренко Б.Л., Московский А.А.Компьютерное моделирование компонентов фоторецепторных систем2014Известия РАН. Серия химическая
Григоренко Б.Л., Князева М.А., Исаева Е.В., Новичкова Д.А., Немухин А.В.Компьютерное моделирование химических реакций в сложных биологических системах: ферментативный гидролиз циклического дигуанозинмонофосфата2014Наноструктуры. Математическая физика и моделирование
Хренова М.Г., Никифоров А.А., Андрийченко Н.Н., Миронов В.А., Немухин А.В.Механизм фотореакции в бактериальном рецепторе синего света BLUF по результатам моделирования методом метадинамики2014Вестник Московского университета. Серия 2. Химия
Khrenova Maria, Nemukhin Alexander, Savitsky AlexanderComputational Characterization of Ketone–Ketal Transformations at the Active Site of Matrix Metalloproteinases2014Journal of Physical Chemistry B10.1021/jp501674b
Lushchekina Sofya, Nemukhin Alexander, Varfolomeev Sergei, Masson PatrickMolecular Modeling Evidence for His438 Flip in the Mechanism of Butyrylcholinesterase Hysteretic Behavior2014Journal of Molecular Neuroscience10.1007/s12031-013-0178-2
Хренова М.Г., Немухин А.В., Григоренко Б.Л., Московский А.А.Оптические переходы в светособирающих комплексах бактериальных фотосинтетических центров2014Вестник Московского университета. Серия 2. Химия
Grigorenko Bella, Nemukhin Alexander, Polyakov Igor, Morozov Dmitry, Krylov AnnaFirst-Principles Characterization of the Energy Landscape and Optical Spectra of Green Fluorescent Protein along the AIB Proton Transfer Route2013Journal of the American Chemical Society
Khrenova M.G., Goryashchenko A.S., Nemukhin A.V., Savitsky A.P.Molecular modeling of the F{\"o}rster resonance energy transfer between FusionRed and Dedushka (eqFP670) fluorescent proteins2013Proceedings of SPIE - The International Society for Optical Engineering10.1117/12.2003975
Nemukhin Alexander, Grigorenko Bella, Morozov Dmitry, Kochetov Mikhail, Lushchekina Sofya, Varfolomeev SergeiOn quantum mechanical - molecular mechanical (QM/MM) approaches to model hydrolysis of acetylcholine by acetylcholinesterase2013Chemico-Biological Interactions
Khrenova M.G., Nemukhin A.V., Domratcheva T.Photoinduced Electron Transfer Facilitates Tautomerization of the Conserved Signaling Glutamine Side Chain in BLUF Protein Light Sensors2013Journal of Physical Chemistry B
Nemukhin Alexander, Topol Igor, Collins Jack, Khrenova MariaQuantum chemistry in studies of fluorescent and photosensing proteins2013International Journal of Quantum Chemistry
Mironov Vladimir, Khrenova Maria, Grigorenko Bella, Savitsky Alexander, Nemukhin AlexanderThermal Isomerization of the Chromoprotein asFP595 and Its Kindling Mutant A143G: QM/MM Molecular Dynamics Simulations2013Journal of Physical Chemistry B10.1021/jp407406k
Polyakov Igor, Grigorenko Bella, Moskovsky Alexander, Pentkovski Vladimir, Nemukhin AlexanderTowards quantum-based modeling of enzymatic reaction pathways: Application to the acetylholinesterase catalysis2013Chemical Physics Letters10.1016/j.cplett.2012.11.021
Grigorenko Bella, Nemukhin Alexander, Polyakov Igor, Krylov AnnaTriple-Decker Motif for Red-Shifted Fluorescent Protein Mutants2013Journal of Physical Chemistry Letters
Grigorenko Bella, Polyakov Igor, Savitsky Alexander, Nemukhin AlexanderUnusual Emitting States of the Kindling Fluorescent Protein: Appearance of the Cationic Chromophore in the GFP Family2013Journal of Physical Chemistry B
Поляков И.В., Московский А.А., Хренова М.Г., Немухин А.В.Квантово-химические расчеты компонентов солнечных элементов, сенсибилизированных красителем2013Вестник Московского университета. Серия 2. Химия
Хренова М.Г., Поляков И.В., Григоренко Б.Л., Немухин А.В.Молекулярная модель светособирающего комплекса LH1 фотосинтетического центра бактерий Thermochromatium Tepidum2013Вестник Московского университета. Серия 2. Химия
Savitsky A.P., Rusanov A.L., Zherdeva V.V., Gorodnicheva T.V., Khrenova M.G., Nemukhin A.V.FLIM-FRET imaging of caspase-3 activity in live cells using pair of red fluorescent proteins2012Theranostics10.7150/thno.3885
Laurent Adele, Mironov Vladimir, Chapagain Prem, Nemukhin Alexander, Krylov AnnaExploring Structural and Optical Properties of Fluorescent Proteins by Squeezing: Modeling High-Pressure Effects on the mStrawberry and mCherry Red Fluorescent Proteins2012Journal of Physical Chemistry B10.1021/jp3060944
Qian Cao, Andrijchenko N., A-E Ahola, Domanskaya A., R{\"a}s{\"a}nen M., Ermilov A., Nemukhin A., Khriachtchev L.Interaction of phenol with xenon and nitrogen: Spectroscopic and computational characterization2012Journal of Chemical Physics10.1063/1.4754435
Morozov Dmitry, Khrenova Maria, Andrijchenko Natalya, Grigorenko Bella, Nemukhin AlexanderMinimum energy reaction profiles for the hydrolysis reaction of the cyclic guanosine monophosphate in water: Comparison of the results of two QM/MM approaches2012Computational & theoretical chemistry10.1016/j.comptc.2012.01.009
Topol Igor, Collins Jack, Mironov Vladimir, Savitsky Alexander, Nemukhin AlexanderModeling absorption of the kindling fluorescent protein with the neutral form of the chromophore2012International Journal of Quantum Chemistry10.1002/qua.24134
Bravaya Ksenia, Grigorenko Bella, Nemukhin Alexander, Krylov AnnaQuantum Chemistry Behind Bioimaging: Insights from Ab Initio Studies of Fluorescent Proteins and Their Chromophores2012Accounts of Chemical Research10.1021/ar2001556
Nemukhin Alexander, Grigorenko B.L., Lushchekina S.V., Varfolomeev SergeiQuantum chemical modelling in the research of molecular mechanisms of enzymatic catalysis2012Russian Chemical Reviews10.1070/rc2012v081n11abeh004311
Андрийченко Н.Н., Хренова М.Г., Немухин А.В., Григоренко Б.Л.Моделирование механизма реакций гидролиза циклических гуанозинмонофосфатов в воде2011Вестник Московского университета. Серия 2. Химия
Бажанова З.Г., Хренова М.Г., Немухин А.В.Расчеты взаимодействий в биомолекулярных системах: сравнение квантовых и классических подходов2011Вычислительные методы и программирование: Новые вычислительные технологии (Электронный научный журнал)
Topol I., Collins J., Savitsky A., Nemukhin A.Computational strategy for tuning spectral properties of red fluorescent proteins2011Biophysical Chemistry10.1016/j.bpc.2011.05.016
Gor Gennady, Tapio Salla, Domanskaya Alexandra, R{\"a}s{\"a}nen Markku, Nemukhin Alexander, Khriachtchev LeonidMatrix-isolation study of the phenol–water complex and phenol dimer2011Chemical Physics Letters10.1016/j.cplett.2011.09.089
Khrenova Maria, Domratcheva Tatiana, Grigorenko Bella, Nemukhin AlexanderCoupling between the BLUF and EAL domains in the blue light-regulated phosphodiesterase BlrP12011Journal of Molecular Modeling10.1007/s00894-010-0842-1
Bravaya Ksenia, Khrenova Maria, Grigorenko Bella, Nemukhin Alexander, Krylov AnnaEffect of Protein Environment on Electronically Excited and Ionized States of the Green Fluorescent Protein Chromophore2011Journal of Physical Chemistry B10.1021/jp2020269
Khrenova Maria, Domratcheva Tatiana, Schlichting Ilme, Grigorenko Bella, Nemukhin AlexanderComputational Characterization of Reaction Intermediates in the Photocycle of the Sensory Domain of the AppA Blue Light Photoreceptor2011Photochemistry and Photobiology10.1111/j.1751-1097.2010.00861.x
Grigorenko Bella, Kaliman Ilya, Nemukhin AlexanderMinimum energy reaction profiles for ATP hydrolysis in myosin2011Journal of Molecular Graphics and Modelling10.1016/j.jmgm.2011.07.005
Grigorenko B.L., Khrenova M.G., Nemukhin A.V., J-P ZhangModeling Structure of the Light Harvesting Complex LH1 from the Bacterial Photosynthetic Center of Thermochromatium tepidum2011
Kupchenko Ilya, Moskovsky Alexander, Nemukhin Alexander, Kolomeisky AnatolyOn the Mechanism of Carborane Diffusion on a Hydrated Silica Surface2011The Journal of Physical Chemistry C
Lushchekina S.V., Kaliman I.A., Grigorenko B.L., Nemukhin A.V., Varfolomeev S.D.Quantum mechanical/molecular mechanical analysis of mechanisms of enzyme action. Human acetylcholinesterase2011Russian Chemical Bulletin10.1007/s11172-011-0338-x
Shelaev I., Mironov Vladimir, Rusanov A., Gostev F., Bochenkova A., Sarkisov O., Nemukhin A., Savitsky A.The origin of radiationless conversion of the excited state in the kindling fluorescent protein (KFP): femtosecond studies and quantum modeling2011Laser Physics Letters10.1002/lapl.201010145
Rusanov Alexander, Mironov Vladimir, Goryashenko Alexander, Grigorenko Bella, Nemukhin Alexander, Savitsky AlexanderConformational Partitioning in pH-Induced Fluorescence of the Kindling Fluorescent Protein (KFP)2011Journal of Physical Chemistry B10.1021/jp1094245
Polyakov I.V., Grigorenko B.L., Epifanovsky E.M., Krylov A.I., Nemukhin A.V.Potential Energy Landscape of the Electronic States of the GFP Chromophore in Different Protonation Forms: Electronic Transition Energies and Conical Intersections2010Journal of Chemical Theory and Computation10.1021/ct100227k
Konyukhov Sergei, Kupchenko Ilya, Moskovsky Alexander, Nemukhin Alexander, Akimov Alexey, Kolomeisky AnatolyRigid-Body Molecular Dynamics of Fullerene-Based Nanocars on Metallic Surfaces2010Journal of Chemical Theory and Computation
Epifanovsky E., Polyakov I., Grigorenko B., Nemukhin A., Krylov A.I.The effect of oxidation on the electronic structure of the green fluorescent protein chromophore2010Journal of Chemical Physics10.1063/1.3336425
Grigorenko B.L., Polyakov I.V., Savitskii A.P., Nemukhin A.V.Structural forms of green fluorescent protein by quantum mechanics/molecular mechanics calculations2010Russian Chemical Bulletin10.1007/s11172-010-0045-z
Nemukhin A., Grigorenko B., Polyakov I., Morozov D., Khrenova M.Algorithms of the flexible effective fragment method used for modeling of transformations in enzyme active sites2010Moscow University Chemistry Bulletin
Nemukhin A., Grigorenko B., Polyakov I., Morozov D., Khrenova M.Algorithms of the flexible effective fragment method used for modeling of transformations in enzyme active sites2010Moscow University Chemistry Bulletin
Lushchekina S.V., Grigorenko B.L., Morozov D.I., Polyakov I.V., Nemukhin A.V., Varfolomeev S.D.Modeling of the mechanism of hydrolysis of succinylcholine in the active site of native and modified (Asp70Gly) human butyrylcholinesterase2010Russian Chemical Bulletin10.1007/s11172-010-0044-0
Khrenova M.G., Bochenkova A.V., Nemukhin A.V.Modeling reaction routes from rhodopsin to bathorhodopsin2010Proteins: Structure, Function and Bioinformatics10.1002/prot.22590
Khrenova M.G., Nemukhin A.V., Grigorenko B.L., Krylov A.I., Domratcheva T.M.Quantum Chemistry Calculations Provide Support to the Mechanism of the Light-Induced Structural Changes in the Flavin-Binding Photoreceptor Proteins2010Journal of Chemical Theory and Computation10.1021/ct100179p
Khrenova Maria, Bochenkova Anastasia, Nemukhin AlexanderTheoretical Characterization of Bathorhodopsin2009
Polyakov Igor, Epifanovsky Evgeny, Grigorenko Bella, Krylov Anna, Nemukhin AlexanderQuantum Chemical Benchmark Studies of the Electronic Properties of the Green Fluorescent Protein Chromophore: 2. Cis-Trans Isomerization in Water2009Journal of Chemical Theory and Computation10.1021/ct9001448
Lushchekina S.V., Nemukhin A.V., Morozov D.I., Varfolomeev S.D.Quantum chemical justification of the specificity of enzyme catalysis: Correlations between the rate of enzyme catalysis by acetylcholinesterase and substrate structure2009Doklady Physical Chemistry10.1134/S0012501609050054
Poliakov Eugenia, Gentleman Susan, Chander Preethi, Cunningham Francis, Jr , Grigorenko Bella, Nemukhin Alexander, Michael RedmondBiochemical evidence for the tyrosine involvement in cationic intermediate stabilization in mouse beta-carotene 15, 15 '-monooxygenase2009BMC Biochemistry10.1186/1471-2091-10-31
Nemukhin A.V., Grigorenko B.L., Savitsky A.P.Computer modeling of the structure and spectra of fluorescent proteins2009Acta naturae
Фельдман Т.Б., Холмуродов Х.Т., Островский М.А., Хренова М.Г., Немухин А.В.Изучение конформационного состояния хромофорной группы, 11-цис-ретиналя, в родопсине методами компьютерного молекулярного моделирования2009Биофизика10.1134/S0006350909040113
Nemukhin A.V., Shadrina M.S., Grigorenko B.L., Du X.Simulated O-18 Kinetic Isotope Effects in Enzymatic Hydrolysis of Guanosine Triphosphate2009Biochemistry (Moscow)10.1134/S0006297909090132
Epifanovsky Evgeny, Polyakov Igor, Grigorenko Bella, Nemukhin Alexander, Krylov AnnaQuantum 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 Phase2009Journal of Chemical Theory and Computation10.1021/ct900143j
Kaliman Ilya, Grigorenko Bella, Shadrina Maria, Nemukhin AlexanderOpening the Arg-Glu salt bridge in myosin: computational study2009Physical Chemistry Chemical Physics10.1039/b900582j
Topol Igor, Collins Jack, Polyakov Igor, Grigorenko Bella, Nemukhin AlexanderOn photoabsorption of the neutral form of the green fluorescent protein chromophore2009Biophysical Chemistry10.1016/j.bpc.2009.08.002
Rocha-Rinza Tomas, Christiansen Ove, Rajput Jyoti, Gopalan Aravind, Rahbek Dennis, Andersen Lars, Bochenkova Anastasia, Granovsky Alexander, Bravaya Ksenia, Nemukhin Alexander, Christiansen Kasper, Nielsen MogensGas Phase Absorption Studies of Photoactive Yellow Protein Chromophore Derivatives2009The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment & general theory10.1021/jp904660w
Khriachtchev Leonid, Domanskaya Alexandra, Marushkevich Kseniya, Rasanen Markku, Grigorenko Bella, Ermilov Alexander, Andrijchenko Natalya, Nemukhin AlexanderConformation-Dependent Chemical Reaction of Formic Acid with an Oxygen Atom2009The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment & general theory10.1021/jp903775k
Nemukhin Alexander, Lushchekina Sofia, Bochenkova Anastasia, Golubeva Anna, Varfolomeev SergeiCharacterization of a complete cycle of acetylcholinesterase catalysis by ab initio QM/MM modeling2008Journal of Molecular Modeling10.1007/s00894-008-0287-y
Nemukhin Alexander, Grigorenko Bella, Bochenkova Anastasia, Bravaya Ksenia, Savitsky AlexanderComputational approaches in modeling spectra of biological chromophores2008
Grigorenko B.L., Shadrina M.S., Topol I.A., Collins J.R., Nemukhin A.V.Mechanism of the chemical step for the guanosine triphosphate (GTP) hydrolysis catalyzed by elongation factor Tu2008Biochimica et Biophysica Acta - Proteins and Proteomics10.1016/j.bbapap.2008.08.003
Bochenkova Anastasia, Khriachtchev Leonid, Lignell Antti, Rasanen Markku, Lignell Hanna, Granovsky Alexander, Nemukhin AlexanderHindered rotation of HArF in solid argon: Infrared spectroscopy and a theoretical model2008Physical Review B - Condensed Matter and Materials Physics10.1103/PhysRevB.77.094301
Nemukhin A.V., Topol I.A., Grigorenko B.L., Savitsky A.P., Collins J.R.Conformation dependence of pK(a)'s of the chromophores from the purple asFP595 and yellow zFP538 fluorescent proteins2008Journal of Molecular Structure: THEOCHEM10.1016/j.theochem.2008.05.014
Bravaya K.B., Grigorenko B.L., Nemukhin A.V., Zhu Yun-Ji, Zhang Jian-PingTheoretical characterization of the 1,3-diazaazulene molecule and its derivatives2008Journal of Molecular Structure: THEOCHEM10.1016/j.theochem.2008.01.010
Domratcheva Tatiana, Grigorenko Bella, Schlichting Ilme, Nemukhin AlexanderMolecular models predict light-induced glutamine tautomerization in BLUF photoreceptors2008Biophysical Journal10.1529/biophysj.107.124172
Akimov A.V., Nemukhin A.V., Moskovsky A.A., Kolomeisky A.B., Tour J.M.Molecular dynamics of surface-moving thermally driven nanocars2008Journal of Chemical Theory and Computation10.1021/ct7002594
Bravaya Ksenia, Bochenkova Anastasia, Granovsky Alexander, Savitsky Alexander, Nemukhin AlexanderModeling photoabsorption of the asFP595 chromophore2008The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment & general theory10.1021/jp804183w
Bravaya K.B., Bochenkova A.V., Granovskii A.A., Nemukhin A.V.Modeling of the Structure and Electronic Spectra of Green Fluorescent Protein Chromophore2008Russian Journal of Physical Chemistry B10.1134/S1990793108050023
Nemukhin A.V., Grigorenko B.L., Shadrina M.S.Mechanisms of enzymatic hydrolysis of nucleoside triphosphates by quantum and molecular mechanics2008Russian Journal of General Chemistry10.1134/S1070363208040312
Pehkonen Susanna, Marushkevich Kseniya, Khriachtchev Leonid, Rasanen Markku, Grigorenko Bella, Nemukhin AlexanderPhotochemical synthesis of H2O2 from the H2O center dot center dot center dot O(P-3) van der Waals complex: Experimental observations in solid krypton and theoretical modeling2007The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment & general theory10.1021/jp075233s
Шабатина Т.И., Власов А.В., Ермилов А.Ю., Конюхов С.В., Немухин А.В., Сергеев Г.Б.Низкотемпературные комплексы атомов и димеров европия с цианофенилпиридинами и алкилцианофенилпиридинами2007Журнал структурной химии10.1007/s10947-007-0117-6
Grigorenko Bella, Rogov Alexander, Topol Igor, Burt Stanley, Martinez Hugo, Nemukhin AlexanderMechanism of the myosin catalyzed hydrolysis of ATP as rationalized by molecular modeling2007Proceedings of the National Academy of Sciences of the United States of America10.1073/pnas.0701727104
Grigorenko Bella, Nemukhin Alexander, Shadrina Maria, Topol Igor, Burt StanleyMechanisms of guanosine triphosphate hydrolysis by Ras and Ras-GAP proteins as rationalized by ab initio QM/MM simulations2007Proteins: Structure, Function and Bioinformatics10.1002/prot.21228
Bravaya Ksenia, Bochenkova Anastasia, Granovsky Alexander, Nemulkhin AlexanderAn opsin shift in rhodopsin: Retinal S0-S1 excitation in protein, in solution, and in the gas phase2007Journal of the American Chemical Society10.1021/ja0732126
Nemukhin Alexander, Bochenkova Anastasia, Bravaya Ksenia, Granovsky AlexanderAccurate modeling of the S0-S1 photo-absorption in biological chromophores2007
Rogacheva M.V., Bochenkova A.V., Kuznetsova S.A., Saparbaev M.K., Nemukhin A.V.Impact of pyrophosphate and 0-ethyl-substituted pyrophosphate groups on DNA structure2007Journal of Physical Chemistry B
Grigorenko Bella, Savitsky Alexander, Topol Igor, Burt Stanley, Nemukhin AlexanderGround-state structures and vertical excitations for the kindling fluorescent protein asFP5952006Journal of Physical Chemistry B10.1021/jp060124j
Grigorenko B.L., Rogov A.V., Nemukhin A.V.Mechanism of triphosphate hydrolysis in aqueous solution: QM/MM simulations in water clusters2006Journal of Physical Chemistry B10.1021/jp056395w
Nemukhin A.V., Grigorenko B.L., Topol I.A., Burt S.K.Modeling dioxygen binding to the non-heme iron-containing enzymes2006International Journal of Quantum Chemistry
Кузьменко Н.Е., Лунин В.В., Гаврилов В.И., Гладков Б.В., Гнеденко Д.Б., Макаров Ю.Н., Немухин А.В., Рыжова О.Н., Чирский В.Г.Математика в университете: из практики химического факультета2006Высшее образование сегодня
Bravaya Ksenia, Bochenkova Anastasia, Grigorenko Bella, Topol Igor, Burt Stanley, Nemukhin AlexanderMolecular modeling the reaction mechanism of serine-carboxyl peptidases2006Journal of Chemical Theory and Computation10.1021/ct6000686
Grigorenko Bella, Savitsky Alexander, Topol Igor, Burt Stanley, Nemukhin Alexandertrans and cis Chrornophore structures in the kindling fluorescent protein asFP5952006Chemical Physics Letters10.1016/j.cplett.2006.04.055
Grigorenko B.L., Nemukhin A.V., Cachau R.E., Topol I.A., Burt S.K.Computational study of a transition state analog of phosphoryl transfer in the Ras-RasGAP complex: AlFx versus MgF3-2005Journal of Molecular Modeling10.1007/s00894-005-0259-4
Rogachev A.Yu, Nemukhin A.V., Granovskii A.A., Kuz’mina N.P.Theoretical modeling of the structures and properties of copper(II) and nickel(II) complexes with schiff bases2005Russian Journal of Inorganic Chemistry
Vlasov A.V., Shabatina T.I., Ivanov A.Yu, Sheina G.G., Nemukhin A.V., Sergeev G.B.Interaction of lanthanide atoms with 4-penty1-4'-cyanobiphenyl in low temperature co-condensates2005Mendeleev Commumications10.1070/MC2005v015n01ABEH001903
Vlasov A.V., Shabatina T.I., Ivanov A.Yu, Sheina G.G., Nemukhin A.V.Interaction of lanthanide atoms with 4-pentyl-4’-cyanobiphenyl in low temperature co-condensates2005Mendeleev Communications10.1070/MC2005v015n01ABEH001903
Shabatina T.I., Vlasov A.V., Konyuhov S.V., Ermilov A.Yu, Nemukhin A.V.Methastable lanthanide complexes formation and their thermal behavior in the solid phase of alkylcyanobiphenyls2005Molecular Crystals and Liquid Crystals10.1080/15421400590958610
Shabatina T.I., Vlasov A.V., Konyuhov S.V., Ermilov A.Yu, Nemukhin A.V., Sergeev G.B.Methasteble lanthanide complexes formation and their thermal behavior in the solid phase of alkylcyanobiphenyls2005Mol. Cryst. Lig. Cryst10.1080/15421400590958610
Nemukhin A.V., Rogachev A.Y., Konyukhov S.V., Bochenkova A.V., Granovsky A.A.QM/MM modeling of the structures and properties of the beta-diketonate-based lanthanide complexes2005International Journal of Quantum Chemistry10.1002/qua.20412
Grigorenko B.L., Nemukhin A.V., Topol I.A., Cachau R.E., Burt S.K.QM/MM modeling the Ras-GAP catalyzed hydrolysis of guanosine triphosphate2005Proteins: Structure, Function and Bioinformatics10.1002/prot.20472
Bochenkova A.V., Firsov D.A., Nemukhin A.Hybrid DIM-based QM/MM approach applied to vibrational spectra and trapping site structures of HArF in solid argon2005Chemical Physics Letters10.1016/j.cplett.2005.02.028
Московский А.А., Вановский В.В., Фирсов Д.А., Асратян А.Н., Немухин А.В.WebQC веб-интерфейс для программ молекулярного моделирования2004Биомедицинская химия
Власов А.В., Конюхов С.В., Шабатина Т.И., Ермилов А.Ю., Немухин А.В., Сергеев Г.Б.Низкотемпературные билигандные комплексы европия и самария с мезогенными алкилцианобифенилами2004Журнал структурной химии10.1007/s10947-005-0003-z
Moskovsky A.A., Vanovsky V.V., Granovsky A.A., Firsov D.A., Nemukhin A.V.A New Universal Web Interface to Quantum Chemistry Programs2004International Journal of Quantum Chemistry10.1002/qua.20185
Nemukhin A.V., Grigorenko B.L., Knyazeva M.A.A simulation of the reaction between glutathion and the hydroxymethyl radical in water by combined quantum and molecular mechanics methods2004Russian Journal of Physical Chemistry
Bochenkova A.V., Suhm M.A., Granovsky A.A., Nemukhin A.V.Hybrid diatomics-in-molecules-based quantum mechanical/molecular mechanical approach applied to the modeling of structures and spectra of mixed molecular clusters Ar-n(HCl)(m) and Ar-n(HF)(m)2004Journal of Chemical Physics10.1063/1.1642596
Nemukhin A.V., Grigorenko B.L., Rogov A.V., Topol I.A., Burt S.K.Modeling of serine protease prototype reactions with the flexible effective fragment potential quantum mechanical/molecular mechanical method2004Theoretical Chemistry Accounts10.1007/s00214-003-0556-x
Nemukhin A.V., Grigorenko B.L., Topol I.A., Burt S.K.QM/MM modeling of the glutathione-hydroxymethyl radical reaction in watery2004Physical Chemistry Chemical Physics10.1039/b311293d
Topol I.A., Cachau R.E., Nemukhin A.V., Grigorenko B.L., Burt S.K.Quantum chemical modeling of the GTP hydrolysis by the RAS-GAP protein complex2004Biochimica et Biophysica Acta - Proteins and Proteomics10.1016/j.bbapap.2004.04.007
Nemukhin A.V., Grigorenko B.L., Bochenkova A.V., Kovba V.M., Epifanovsky E.M.Structures of the peptide-water complexes studied by the hybrid quantum mechanical-molecular mechanical (QM/MM) technique2004Structural Chemistry10.1023/B:STUC.0000010463.49618.40
Рогов А.В., Михалев С.П., Грановский А.А., Соловьев В.Н., Немухин А.В., Сергеев Г.Б.Экспериментальное и теоретическое изучение взаимодействия частиц магния с четыреххлористым углеродом2004Вестник Московского университета. Серия 2. Химия
Grigorenko B., Nemukhin A.V., Topol I.A., Burt S.K.Practical implementation of the flexible effective fragment QM/MM method for modeling chemical reactions in condensed phases2003Abstracts of Papers of the American Chemical Society
Nemukhin A.V., Grigorenko B.L., Topol I.A., Burt Flexible effective fragment QM/MM method: Validation through the challenging tests2003Journal of Computational Chemistry10.1002/jcc.10309
Firsov Denis, Granovsky Alexander, Nemukhin AlexanderApplication of the vibrational self-consistent field method to the Cl–•••HF complex2003
Nemukhin A.V., Grigorenko B., Topol I.A., Burt S.K.Modeling chemical reactions in proteins by the QM/MM method based on the flexible effective fragment potential technique2003Abstracts of Papers of the American Chemical Society
Rogachev A.Yu, Nemukhin A.V., Kuz’mina N.P., Sevast’yanov D.V.Theoretical Modeling of the Structures and Properties of Lanthanum Complexes with Substituted Acetylacetones2003Doklady Chemistry10.1023/A:1023440624204
Nemukhin A.V., Grigorenko B.L., Topol I.A., Burt S.K.Quantum chemical simulations of the proton transfer in water wires attached to molecular walls2003Journal of Physical Chemistry B10.1021/jp027283x
Конюхов С.С., Московский А.А., Фирсов Д.А., Немухин А.В.Квантово-химическое моделирование реакции OH– + CO2→ HCO3– в водных кластерах2002Вестник Московского университета. Серия 2. Химия
Nemukhin A.V., Grigorenko B.L., Bochenkova A.V., Topol I.A., Burt S.K.A QM/MM approach with effective fragment potentials applied to the dipeptide-water structures2002Journal of Molecular Structure: THEOCHEM10.1016/S0166-1280(01)00755-2
Firsov Denis, Bochenkova Anastasia, Nemukhin AlexanderApplication of the DIM-based QM/MM approach for the modeling of vibrational spectra and matrix shifts of the argon containing fluorohydride2002
Nemukhin A.V., Grigorenko B.L., Khriachtchev L., Tanskanen H., Pettersson M., Rasanen M.Intermolecular complexes of HXeOH with water: Stabilization and destabilization effects2002Journal of the American Chemical Society10.1021/ja0266870
Grigorenko B.L., Nemukhin A.V., Topol I.A., Burt S.K.Modeling of biomolecular systems with the quantum mechanical and molecular mechanical method based on the effective fragment potential technique: Proposal of flexible fragments2002The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment & general theory10.1021/jp026464w
Nemukhin A.V., Topol I.A., Grigorenko B.L., Burt S.K.On the origin of potential barrier for the reaction OH-+CO2 -> HCO3- in water: Studies by using continuum and cluster solvation methods2002Journal of Physical Chemistry B10.1021/jp0141629
Firsov D.A., Grigorenko B.L., Nemukhin A.V.Molecular dynamics simulations of the SH(A2Σ+) radicals in krypton matrices. The emission spectra and radiative lifetime prediction2001
Klotzbucher W.E., Petrukhina M.A., Nemukhin A.V., Ermilov A.Y., Grigorenko B.L.Formation of mixed d- and f-block metal clusters in inert matrices: comparison of the observed and theoretical optical spectra of AgHo2001Spectrochimica Acta - Part A: Molecular and Biomolecular Spectroscopy10.1016/S1386-1425(00)00426-1
Firsov D.A., Grigorenko B.L., Nemukhin A.V., Khriachtchev L.Y., Rasanen M.O.Emission of SH radicals in solid krypton: mixed quantum-classical molecular dynamics simulations2001Chemical Physics Letters10.1016/S0009-2614(01)00246-9
Buchachenko A.A., Grigorenko B.L., Nemukhin A.V., Stepanov N.F.Calculations of the vibrational spectrum and dynamics of the ArHF complex with a semiempirical potential energy surface2001Russian Journal of Physical Chemistry
Grigorenko B.L., Nemukhin A.V., Topol I.A., Burt S.K.Hydrogen bonding at the diatomics-in-molecules level: Water clusters2000Journal of Chemical Physics10.1063/1.1303850
Moskovsky A.A., Grigorenko B.L., Granovsky A.A., Nemukhin A.V.Structures of the medium-size hydrogen fluoride clusters2000Russian Journal of Physical Chemistry
Фирсов Д.А., Грановский А.А., Немухин А.В.Неэмпирические расчёты кластеров Cl–(HF)n, n ≤62000Известия АН серия физическая
Grigorenko B.L., Moskovsky A.A., Nemukhin A.V.An analysis of stationary points on the (HF)(n) potential surfaces (n <= 6) predicted by the diatomics-in-ionic-systems model2000Journal of Molecular Structure: THEOCHEM10.1016/S0166-1280(99)00211-0
Поликарпов Е.В., Шабатина Т.И., Сергеев Г.Б., Немухин А.В.Структура и спектры комплексов Ag(C6H5CN)22000Вестник Московского университета. Серия 2. Химия
Grigorenko B.L., Skasirskaya E.Y., Knuazeva M.A., Nemukhin A.V.New approach for the calculation of energy potential surface of molecular clusters2000IZVESTIYA AKADEMII NAUK SSSR SERIYA FIZICHESKAYA
Nemukhin A.V., Grigorenko B.L., Skasyrskaya E.Y., Topol I.A., Burt S.K.A new hybrid approach for modeling reactions in molecular clusters: Application for the hydrogen bonded systems2000Journal of Chemical Physics10.1063/1.480542
Shabatina T.I., Vovk E.V., Ozhegova N.V., Morosov Yu, Nemukhin A.V., Sergeev G.B.Synthesis and properties of metal-mesogenic nanostructures1999Materials Science and Engineering C
Solov'ev V.N., Polykarpov E.V., Nemukhin A.V., Sergeev G.B.Matrix isolation and ab initio of the reactions of magnesium atoms and clusters with CO2, C2H2, CO2/C2H4 formation of cyclic complexes1999The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment & general theory
Nemukhin Aleksandr, Grigorenko Bella, Firsov DenisDiatomics-in-molecules: the tool to model condense phase phenomena1999
Nemukhin A.V., Grigorenko B.L., Granovsky A.A.Ab initio potential curves of the fragments and diatomics-in-molecules potential energy surfaces for the SH center dot center dot center dot Kr complex1999Chemical Physics Letters10.1016/S0009-2614(99)00031-7
Nemukhin Aleksandr, Granovsky Aleksandr, Firsov DenisAn ab initio study of the anionic clusters Cl–(HF)n (n=1–5)1999Mendeleev Communications10.1070/MC1999v009n06ABEH001153
Firsov D.A., Granovsky A.A., Nemukhin A.V.Application of the vibrational self-consistent field and correlation techniques to the SH/D(Ã)•••Rg (Rg=Ar, Kr) van der Waals complexes1999Chemical Physics10.1016/S0301-0104(99)00083-X
Buchachenko A.A., Stepanov N.F., Grigorenko B.L., Nemukhin A.V.ArHF vibrational predissociation dynamics using the diatomics-in-molecule potential energy surface1999Journal of Chemical Physics
Sergeev G.B., Nemukhin A.V., Sergeev B.M., Shabatina T.I., Zagorskii V.V.Cryosynthesis and properties of metal-organic nanomaterials1999Nanostructured Materials10.1016/S0965-9773(99)00309-8
Grigorenko B.L., Moskovsky A.A., Nemukhin A.V.Diatomics-in-ionic-systems and ab initio predictions for the stationary points on potential energy surfaces of the (HF)(n) clusters (n=3-6)1999Journal of Chemical Physics10.1063/1.479738
Grigorenko B.L., Nemukhin A.V., Apkarian V.A.Towards quantitative diatomics-in-molecules model for the water molecule1998Chemical Physics10.1016/S0301-0104(98)00071-8
Grigorenko B.L., Nemukhin A.V., Ozhegova N.V., Knyazeva M.A.Molecular dynamics of clusters with potential energy surfaces by the method of two-atomic fragments1998IZVESTIYA AKADEMII NAUK SSSR SERIYA FIZICHESKAYA
Ермилов А.Ю., Немухин А.В., Сергеев Г.Б.Структура смешанных кластеров металлов1998Известия РАН. Серия физическая
Grigorenko B.L., Nemukhin A.V., Apkarian V.A.Hydrogen bonding described through diatomics-in-ionic-systems: The HF dimer1998Journal of Chemical Physics10.1063/1.475881
Ozhegova N.V., Shabatina T.I., Nemukhin A.V., Sergeev G.B.Modeling Structure and spectra of silver complexes in condensate films at polar liquid crystals1998Mendeleev Communications
Grigorenko B.L., Nemukhin A.V., Ozhegova N.V.MD-DIM simulations of the (3)Pi(g)(ion-pair)->(3)Pi(u)(valence) red-shifted transitions of Cl-2 in neon matrices1998Chemical Physics Letters10.1016/S0009-2614(98)01007-0
Nemukhin A.V., Grigorenko B.L.Modeling properties of the HF dimer in argon clusters1997International Journal of Quantum Chemistry10.1002/(SICI)1097-461X(1997)62:1<55::AID-QUA6>3.0.CO
Nemukhin A.V., Grigorenko B.L.Ab initio potential functions for the ionic states of OH1997Chemical Physics Letters10.1016/S0009-2614(97)00835-X
Nemukhin A.V., Ozhegova N.V., Ermilov A.Y., Grigorenko B.L.Simulation of lithium fragment vibrations in graphite intercalates1997Zhurnal Fizicheskoi Khimii
Nemukhin A.V., Grigorenko B.L., Ozhegova N.V.Simulation of the properties of lithium clusters in argon matrices1997Zhurnal Fizicheskoi Khimii
Grigorenko B.L., Nemukhin A.V.Modelling trapping sites of (HF)(2) in argon clusters1997Chemical Physics Letters10.1016/S0009-2614(97)00343-6
Grigorenko B.L., Nemukhin A.V., Sultanov V.B.Calculations of the structure of ArnHF clusters in terms of a DM potential of ArHF1997Chemical Physics Reports
Grigorenko B.L., Nemukhin A.V., Buchachenko A.A., Stepanov N.F., Umanskii S.Y.Diatomics-in-molecules description of the Rg-Hal(2) rare gas halogen van der Waals complexes with applications to He-Cl-21997Journal of Chemical Physics
Shaitan K.V., Nemukhin A.V., Firsov D.A., Bogdan T.V., Topol' I.A.Importance of Effective Charges in the Analysis of Electron-Conformational Interactions in Peptides1997Molecular Biology
Grigorenko B.L., Nemukhin A.V., Apkarian V.A.Inclusion of ion-pair states in the diatomics-in-molecules description of potential energy surfaces: van der Waals complexes of He-Cl-2 and Ar-Cl-21997Chemical Physics10.1016/S0301-0104(97)00107-9
Nemukhin A.V., Grigorenko B.L., Ozhegova N.V.Modeling the spectra of matrix-isolated molecules1997Journal of Structural Chemistry10.1007/BF02762647
Nemukhin A.V., Grigorenko B.L., Ozhegova N.V.Molecular dynamics of small magnesium clusters in argon matrices1997Chemical Physics Reports
Nemukhin A.V., Grigorenko B.L., Savin A.V.Theoretical vibrational spectrum of (HF)(2) in argon matrices1996Chemical Physics Letters10.1016/0009-2614(96)00013-9
Grigorenko B.L., Nemukhin A.V., Apkarian V.A.Many-body potentials and dynamics based on diatomics-in-molecules: Vibrational frequency shifts in ArnHF (n=1-12,62) clusters1996Journal of Chemical Physics10.1063/1.471790
Solov'ev V.N., Nemukhin A.V., Sergeev G.B., Topol I.A.Structure and spectra of methylmagnesium Grignard complexes1996Mendeleev Commumications
NEMUKHIN A.V., SEREBRENNIKOV L.V.MOLECULAR-SPECTRA AND STRUCTURE OF THE BORON AND ALUMINUM-OXIDES1993Uspekhi khimii