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Hydrolysis of Mg(BH4)2 and its coordination compounds as a way to obtain hydrogen

Journal of power sources, 2018-02, Vol.377, p.93-102

2018

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Silicon rods as a negative electrode material for lithium-ion cells: Quantum chemical modeling

Chemical physics, 2019-03, Vol.519, p.45-51

2019

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Role of non-covalent interactions at the oxidation of 2,5-di-Me-pyrazine-di-N-oxide at glassy carbon, single-walled and multi-walled carbon nanotube paper electrodes

Carbon trends, 2021-07, Vol.4, p.100057, Article 100057

2021

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Magnesium borohydride monoammine as hydrogen storage: Structure and pathway analysis for the thermal decomposition reaction

Journal of alloys and compounds, 2024-12, Vol.1008, p.176738, Article 176738

2024

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Synthesis, properties and thermal decomposition particularities of magnesium borohydride ammoniates

International journal of hydrogen energy, 2022-10, Vol.47 (83), p.35320-35328

2022

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Quantum-chemical modeling of the charge transport properties of the ammonium form of Nafion

Solid state ionics, 2018-11, Vol.325, p.214-220

2018

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Electrochemical route to Co(II) polyporphine

Journal of solid state electrochemistry, 2016, Vol.20 (11), p.3189-3197

2016

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Quantum chemical modeling of photoadsorption properties of the nitrogen-vacancy point defect in diamond

Journal of computational chemistry, 2009-01, Vol.30 (1), p.119-131

2009

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Interaction of solid and polymeric lithium electrolytes with composites based on carbon fibers and silicon nanoclusters: Quantum-chemical modeling

Russian journal of inorganic chemistry, 2017-10, Vol.62 (10), p.1360-1365

2017

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The Supercomputer Simulation of Nanocomposite Components and Transport Processes in the Li-ion Power Sources of New Types

Supercomputing, p.299-312

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Potential energy surfaces for the lowest excited states of the nitrogen-vacancy point defects in diamonds: A quantum chemical study

Chemical physics letters, 2008-09, Vol.462 (4), p.251-255

2008

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Photoluminescence from mesoporous silica akin to that from nanoscale silicon: the nature of light-emitters

Chemical physics letters, 2002-05, Vol.358 (3), p.180-186

2002

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Ab initio study of H photodetachment from the ethyl radical

Chemical physics letters, 2000-06, Vol.323 (5), p.441-447

2000

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Quantum chemical modeling of the structure and ion location in chlorine-doped alkali-borate glasses

Solid state ionics, 2003-02, Vol.157 (1), p.305-311

2003

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Photoluminescence properties of silica-based mesoporous materials similar to those of nanoscale silicon

The European physical journal. D, Atomic, molecular, and optical physics, 2001-10, Vol.16 (1), p.279-283

2001

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Quantum chemical modeling of chlorine-doped defects in a-Se

Physica. B, Condensed matter, 2001-12, Vol.308, p.1061-1064

2001

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Quantum chemical study of the network modification in vitreous B2O3

Journal of non-crystalline solids, 1998-04, Vol.224 (3), p.291-298

1998

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Quantum chemical study of the network modification in vitreous B 2O 3

Journal of non-crystalline solids, 1998, Vol.224 (3), p.291-298

1998

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Ab initio MO calculations of molecular structure and reactivity of the phenoxy radical

Journal of molecular structure. Theochem, 1988-09, Vol.170, p.33-38

1988

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Quantum chemical simulation of hypervalent defects in non-crystalline sulfur

Solid state communications, 1994, Vol.89 (4), p.335-339

1994

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Chapter 4 Ab Initio Calculations of Electronic Transitions and Photoabsorption and Photoluminescence Spectra of Silica and Germania Nanoparticles

Thin Films and Nanostructures, 2007, Vol.34, p.67-120

2007

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Quantum chemical modelling of three-centre Si-H-Si bonds in amorphous hydrogenated silicon

Solid state communications, 1993, Vol.87 (3), p.175-178

1993

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Electronic and energy characteristics of surface centers on modified aluminosilicates containing incompletely coordinated aluminium atoms

Journal of structural chemistry, 1985-11, Vol.26 (6), p.839-842

1985

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Application of Raman spectroscopy to study the inactivation process of bacterial microorganisms

Nauchno-tekhnicheskiĭ vestnik informat͡s︡ionnykh tekhnologiĭ, mekhaniki i optiki, 2023-08, Vol.23 (4), p.676-684

2023

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Optical properties of planar plasmon active surfaces modified with gold nanostars

Nauchno-tekhnicheskiĭ vestnik informat͡s︡ionnykh tekhnologiĭ, mekhaniki i optiki, 2022-10, Vol.22 (5), p.824-831

2022

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Hydrolysis of Mg(BH4)2 and its coordination compounds as a way to obtain hydrogen

Silicon rods as a negative electrode material for lithium-ion cells: Quantum chemical modeling

Role of non-covalent interactions at the oxidation of 2,5-di-Me-pyrazine-di-N-oxide at glassy carbon, single-walled and multi-walled carbon nanotube paper electrodes

Magnesium borohydride monoammine as hydrogen storage: Structure and pathway analysis for the thermal decomposition reaction

Synthesis, properties and thermal decomposition particularities of magnesium borohydride ammoniates

Quantum-chemical modeling of the charge transport properties of the ammonium form of Nafion

Electrochemical route to Co(II) polyporphine

Quantum chemical modeling of photoadsorption properties of the nitrogen-vacancy point defect in diamond

Interaction of solid and polymeric lithium electrolytes with composites based on carbon fibers and silicon nanoclusters: Quantum-chemical modeling

The Supercomputer Simulation of Nanocomposite Components and Transport Processes in the Li-ion Power Sources of New Types

Potential energy surfaces for the lowest excited states of the nitrogen-vacancy point defects in diamonds: A quantum chemical study

Photoluminescence from mesoporous silica akin to that from nanoscale silicon: the nature of light-emitters

Ab initio study of H photodetachment from the ethyl radical

Quantum chemical modeling of the structure and ion location in chlorine-doped alkali-borate glasses

Photoluminescence properties of silica-based mesoporous materials similar to those of nanoscale silicon

Quantum chemical modeling of chlorine-doped defects in a-Se

Quantum chemical study of the network modification in vitreous B2O3

Quantum chemical study of the network modification in vitreous B 2O 3

Ab initio MO calculations of molecular structure and reactivity of the phenoxy radical

Quantum chemical simulation of hypervalent defects in non-crystalline sulfur

Chapter 4 Ab Initio Calculations of Electronic Transitions and Photoabsorption and Photoluminescence Spectra of Silica and Germania Nanoparticles

Quantum chemical modelling of three-centre Si-H-Si bonds in amorphous hydrogenated silicon

Electronic and energy characteristics of surface centers on modified aluminosilicates containing incompletely coordinated aluminium atoms

Application of Raman spectroscopy to study the inactivation process of bacterial microorganisms

Optical properties of planar plasmon active surfaces modified with gold nanostars

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