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Electronic and Mechanical Properties of Endohedral Composites of Carbon Nanotubes with Potassium Iodide: DFT Study.
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- Journal of Structural Chemistry, 2023, v. 64, n. 4, p. 662, doi. 10.1134/S0022476623040133
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- Article
RHOMBOHEDRAL NIOBIUM MONOXIDE: THEORETICALLY PREDICTED HIGH- PRESSURE PHASE NbO.
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- Journal of Structural Chemistry, 2022, v. 63, n. 10, p. 1639, doi. 10.1134/S0022476622100109
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- Article
An Xps Study of Solid Solutions Mo<sub>1-X</sub>Nb<sub>x</sub>S<sub>2</sub> (0 < x < 0.15).
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- Journal of Structural Chemistry, 2018, v. 59, n. 8, p. 1833, doi. 10.1134/S0022476618080115
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Quantum-chemical study of quasi-one-dimensional vanadium and niobium sulfides with Peierls distortion.
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- Journal of Structural Chemistry, 2016, v. 57, n. 8, p. 1505, doi. 10.1134/S0022476616080035
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Molecular dynamics simulations of defect formation in thin graphite films using the density functional tight-binding method.
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- Journal of Structural Chemistry, 2016, v. 57, n. 4, p. 808, doi. 10.1134/S0022476616040260
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Electronic structure and formation energies of nonstoichiometric dichalcogenides MX (М = Nb, Mo, W; X = Se, Te).
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- Journal of Structural Chemistry, 2016, v. 57, n. 2, p. 281, doi. 10.1134/S0022476616020062
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On the capabilities of the x-ray diffraction method in determining polytypes in nanostructured layered metal disulfides.
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- Journal of Structural Chemistry, 2013, v. 54, n. 2, p. 388, doi. 10.1134/S0022476613020170
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Modeling of the electronic structure, chemical bonding, and properties of ternary silicon carbide TiSiC.
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- Journal of Structural Chemistry, 2011, v. 52, n. 4, p. 785, doi. 10.1134/S0022476611040226
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- Article
Atomic Defects on the Surface of Quasi Two-Dimensional Layered Titanium Dichalcogenides: Stm Experiment and Quantum Chemical Simulation.
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- Journal of Structural Chemistry, 2010, v. 51, n. 4, p. 737, doi. 10.1007/s10947-010-0109-9
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Simulation of structural, elastic, and electronic properties of new cubic crystals of carbon and BN nanotubes.
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- Journal of Structural Chemistry, 2008, v. 49, n. 6, p. 994, doi. 10.1007/s10947-008-0171-8
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- Article
Electronic structure of extended titanium carbide nanocrystallites.
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- Journal of Structural Chemistry, 2006, v. 47, n. 3, p. 549, doi. 10.1007/s10947-006-0334-4
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- Article
Interatomic interactions and electronic structure of NbSe<sub>2</sub> and Nb<sub>1.25</sub>Se<sub>2</sub> nanotubes.
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- Journal of Structural Chemistry, 2004, v. 45, n. 4, p. 547, doi. 10.1007/s10947-005-0028-3
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- Article
Electronic Structure of Fullerenelike Molecules Based on TiO<sub>2</sub>, SnO<sub>2</sub>, and SnS<sub>2</sub>.
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- Journal of Structural Chemistry, 2004, v. 45, n. 1, p. 151, doi. 10.1023/B:JORY.0000041514.06121.de
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Tautomerism and Acidic Properties of N‐Unsubstituted Benzohydroxamic Acids: Semiempirical Quantum Chemical Estimation.
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- Journal of Structural Chemistry, 2003, v. 44, n. 2, p. 297, doi. 10.1023/A:1025515227844
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- Article
Low-Temperature Sol–Gel Synthesis and Photoactivity of Nanocrystalline TiO<sub>2</sub> with the Anatase/Brookite Structure and an Amorphous Component.
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- Kinetics & Catalysis, 2019, v. 60, n. 3, p. 325, doi. 10.1134/S002315841903008X
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Some Features of Trichlorobifenil Photolysis.
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- Russian Journal of General Chemistry, 2023, v. 93, n. 11, p. 2798, doi. 10.1134/S1070363223110087
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Synthesis of Core-Shell Inorganic Nanotubes.
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- Advanced Functional Materials, 2010, v. 20, n. 15, p. 2459, doi. 10.1002/adfm.201000490
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Quantum-chemical study of titanium monoxide nanoparticles with structural vacancies.
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- Doklady Physical Chemistry, 2017, v. 473, n. 2, p. 71, doi. 10.1134/S0012501617040054
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- Article
Quantum-chemical study of structural and electronic properties of a new tin monosulfide polymorph π-SnS.
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- Doklady Physical Chemistry, 2017, v. 472, n. 2, p. 23, doi. 10.1134/S0012501617020026
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Stability and structural, elastic, and electronic properties of 3D-( sp) carbon allotropes according to DFTB calculations.
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- Doklady Physical Chemistry, 2012, v. 442, n. 1, p. 1, doi. 10.1134/S0012501612010010
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Composition, stability, and elastic moduli of higher allotropes of boron (β-B and tII-B) according to SCC-DFTB calculations.
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- Doklady Physical Chemistry, 2011, v. 438, n. 2, p. 118, doi. 10.1134/S0012501611060054
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New nanotubes of metal oxycarbides: Modeling of carbothermal reduction of TiO<sub>2</sub> nanotubes.
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- Doklady Physical Chemistry, 2006, v. 407, n. 1, p. 57, doi. 10.1134/S0012501606030018
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Coulomb interactions and the problem of stability of inorganic nanotubes.
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- Doklady Physical Chemistry, 2004, v. 399, n. 4-6, p. 293, doi. 10.1007/s10634-005-0001-z
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- Article
Electronic Structure of Nanotubes of Layered Modifications of Carbon Nitride C<sub>3</sub>N<sub>4</sub>.
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- Doklady Physical Chemistry, 2004, v. 398, n. 1-3, p. 211, doi. 10.1023/B:DOPC.0000041489.86683.8d
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Electronic Structure of New Graphyne-Like Boron Nitride Nanotubes.
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- Doklady Physical Chemistry, 2004, v. 395, n. 1-3, p. 62, doi. 10.1023/B:DOPC.0000021254.40752.26
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- Article
Electronic Structure of Doped Titanium Dioxide Nanotubes.
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- Doklady Physical Chemistry, 2003, v. 391, n. 4-6, p. 187, doi. 10.1023/A:1025451313616
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- Article
Electronic Structure and Chemical Bonding in Crystalline and Nanosized Forms of Magnesium Diboride.
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- Doklady Physical Chemistry, 2003, v. 388, n. 4-6, p. 43, doi. 10.1023/A:1022587331239
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- Article
Fullerene-like Mo(W)<sub>1− x</sub>Re<sub> x</sub>S<sub>2</sub> Nanoparticles.
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- Chemistry - An Asian Journal, 2008, v. 3, n. 8/9, p. 1568, doi. 10.1002/asia.200800083
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- Article
Controlled Doping of MS<sub>2</sub> (M=W, Mo) Nanotubes and Fullerene-like Nanoparticles.
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- Angewandte Chemie International Edition, 2012, v. 51, n. 5, p. 1148, doi. 10.1002/anie.201105324
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- Article
Inside Cover: MoS.
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- Angewandte Chemie International Edition, 2011, v. 50, n. 8, p. 1728, doi. 10.1002/anie.201000295
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- Article
MoS.
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- Angewandte Chemie International Edition, 2011, v. 50, n. 8, p. 1810, doi. 10.1002/anie.201006719
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- Article
Atomic defects of the walls and the electronic structure of molybdenum disulfide nanotubes.
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- Semiconductors, 2007, v. 41, n. 1, p. 81, doi. 10.1134/S1063782607010162
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- Article
Luminescence of a Transparent Alumina Ceramic Doped with Chromium and Titanium.
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- Refractories & Industrial Ceramics, 2003, v. 44, n. 2, p. 94, doi. 10.1023/A:1024763127088
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Electronic, Structural, and Thermal Properties of a Nanocable Consisting of Carbon and BN Nanotubes.
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- JETP Letters, 2004, v. 80, n. 11, p. 608, doi. 10.1134/1.1851644
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- Article
Capillary Imbibition of Gadolinium Halides into WS<sub>2</sub> Nanotubes: a Molecular Dynamics View.
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- Israel Journal of Chemistry, 2017, v. 57, n. 6, p. 501, doi. 10.1002/ijch.201600055
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- Article
Structure and Stability of GaS Fullerenes and Nanotubes.
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- Israel Journal of Chemistry, 2017, v. 57, n. 6, p. 529, doi. 10.1002/ijch.201600121
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- Article
Theoretical Studies of Inorganic Fullerenes and Fullerene-Like Nanoparticles.
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- Israel Journal of Chemistry, 2010, v. 50, n. 4, p. 468, doi. 10.1002/ijch.201000058
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- Article
Structure and Stability of Molybdenum Sulfide Fullerenes.
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- Angewandte Chemie International Edition, 2007, v. 46, n. 4, p. 623, doi. 10.1002/anie.200602136
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- Article
Nanosized allotropes of molybdenum disulfide.
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- European Physical Journal: Special Topics, 2007, v. 149, n. 1, p. 103, doi. 10.1140/epjst/e2007-00246-0
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- Article
Controlled Doping of MS<sub>2</sub> (M=W, Mo) Nanotubes and Fullerene-like Nanoparticles.
- Published in:
- Angewandte Chemie, 2012, v. 124, n. 5, p. 1174, doi. 10.1002/ange.201105324
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- Article
Innentitelbild: MoS.
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- Angewandte Chemie, 2011, v. 123, n. 8, p. 1766, doi. 10.1002/ange.201000295
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- Article
MoS.
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- Angewandte Chemie, 2011, v. 123, n. 8, p. 1850, doi. 10.1002/ange.201006719
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- Article
Atomic structure, stability and electronic properties of fluorinated diamond-like carbon nanolayers.
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- Theoretical & Experimental Chemistry, 2012, v. 48, n. 5, p. 327, doi. 10.1007/s11237-012-9277-3
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- Article
3D Polymorphs of boron nitride: SCC-DFTB modeling of the stability and structural, elastic, and electronic characteristics.
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- Theoretical & Experimental Chemistry, 2011, v. 47, n. 3, p. 155, doi. 10.1007/s11237-011-9196-8
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- Article
Modeling of the capillary filling of MoS nanotubes with titanium tetrachloride molecules.
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- Theoretical & Experimental Chemistry, 2010, v. 46, n. 4, p. 203, doi. 10.1007/s11237-010-9140-3
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- Article
Quantum-chemical modelling of nanotubes of titanium silicocarbides Ti<sub>2</sub>SiC, Ti<sub>3</sub>SiC<sub>2</sub>, and Ti<sub>4</sub>SiC<sub>3</sub>.
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- Theoretical & Experimental Chemistry, 2009, v. 45, n. 2, p. 98, doi. 10.1007/s11237-009-9077-6
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Structural and Electronic Characteristics of Endohedral Metallofullerenes: Y<sub>2</sub>C<sub>2</sub>@C<sub>82</sub> and Y<sub>2</sub>@C<sub>84</sub> Isomers.
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- Theoretical & Experimental Chemistry, 2004, v. 40, n. 5, p. 273, doi. 10.1023/B:THEC.0000049071.78404.f9
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- Article
Structure and Electronic Characteristics of New Graphyne-Like Fullerenes of Boron Nitride: Quantum-Chemical Modelling.
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- Theoretical & Experimental Chemistry, 2004, v. 40, n. 2, p. 71, doi. 10.1023/B:THEC.0000028900.61266.da
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- Article
Quantum-Chemical Modelling of the Electronic Structure and the Chemical Bond in Multiwalled Nanotubes Based on Metal Diborides.
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- Theoretical & Experimental Chemistry, 2003, v. 39, n. 1, p. 1, doi. 10.1023/A:1022937824976
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First‐principles study on the plutonium ions interaction with diamide molecules in acid solutions.
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- International Journal of Quantum Chemistry, 2021, v. 121, n. 16, p. 1, doi. 10.1002/qua.26681
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- Article