All-Nitrogen Cages and Molecular Crystals: Topological Rules, Stability, and Pyrolysis Paths.
- Published in:
- Computation, 2020, v. 8, n. 4, p. 91, doi. 10.3390/computation8040091
- By:
- Publication type:
- Article
Works by Maslov, Mikhail M.
Results: 22
1
2
Density Functional Theory Computations and Experimental Analyses to Highlight the Degradation of Reactive Black 5 Dye.
- Published in:
- Chemical Engineering & Technology, 2023, v. 46, n. 10, p. 2133, doi. 10.1002/ceat.202300120
- By:
- Publication type:
- Article
3
A Combined Study on Degradation Mechanism of Reactive Orange 16 through Fenton‐like Process: Experimental Studies and Density Functional Theoretical Findings.
- Published in:
- ChemistrySelect, 2022, v. 7, n. 48, p. 1, doi. 10.1002/slct.202202292
- By:
- Publication type:
- Article
4
Kinetic Stability and Reactivity of Silicon and Fluorine-Containing CL-20 Derivatives.
- Published in:
- ChemistrySelect, 2019, v. 4, n. 33, p. 9659, doi. 10.1002/slct.201902583
- By:
- Publication type:
- Article
5
Thermal stability of carbon [<italic>n</italic>,5] prismanes (<italic>n</italic> = 2-4): a molecular dynamics study.
- Published in:
- Molecular Simulation, 2018, v. 44, n. 9, p. 703, doi. 10.1080/08927022.2018.1434720
- By:
- Publication type:
- Article
6
Probing of Neural Networks as a Bridge from Ab Initio Relevant Characteristics to Differential Scanning Calorimetry Measurements of High‐Energy Compounds.
- Published in:
- Physica Status Solidi - Rapid Research Letters, 2022, v. 16, n. 3, p. 1, doi. 10.1002/pssr.202100191
- By:
- Publication type:
- Article
7
Ab Initio Insight into the Interaction of Metal-Decorated Fluorinated Carbon Fullerenes with Anti-COVID Drugs.
- Published in:
- International Journal of Molecular Sciences, 2022, v. 23, n. 4, p. 2345, doi. 10.3390/ijms23042345
- By:
- Publication type:
- Article
8
Kinetic stability of nitrogen cubane inside the fullerene cage: Molecular dynamics study.
- Published in:
- Fullerenes, Nanotubes & Carbon Nanostructures, 2020, v. 28, n. 4, p. 304, doi. 10.1080/1536383X.2019.1708730
- By:
- Publication type:
- Article
9
Carbon vs silicon polyprismanes: a comparative study of metallic sp<sup>3</sup>-hybridized allotropes.
- Published in:
- Fullerenes, Nanotubes & Carbon Nanostructures, 2020, v. 28, n. 2, p. 97, doi. 10.1080/1536383X.2019.1680974
- By:
- Publication type:
- Article
10
Tight-binding Molecular Dynamics Simulation of the Endohedral Complex C 4 H 4 @C 60.
- Published in:
- Fullerenes, Nanotubes & Carbon Nanostructures, 2014, v. 22, n. 6, p. 560, doi. 10.1080/1536383X.2012.702156
- By:
- Publication type:
- Article
11
Nonorthogonal tight-binding model with H–C–N–O parameterisation.
- Published in:
- Molecular Simulation, 2016, v. 42, n. 4, p. 305, doi. 10.1080/08927022.2015.1044453
- By:
- Publication type:
- Article
12
Theoretical Study of High-Frequency Response of InGaAs/AlAs Double-Barrier Nanostructures.
- Published in:
- Advances in Materials Science & Engineering, 2017, p. 1, doi. 10.1155/2017/2031631
- By:
- Publication type:
- Article
13
Removal of erythrosine B dye from wastewater using chitosan boric acid composite material: Experimental and density functional theory findings.
- Published in:
- Journal of Physical Organic Chemistry, 2023, v. 36, n. 12, p. 1, doi. 10.1002/poc.4400
- By:
- Publication type:
- Article
14
Chemical Functionalization Effects on Cubane-Based Chain Electronic Transport.
- Published in:
- Advances in Condensed Matter Physics, 2015, v. 2015, p. 1, doi. 10.1155/2015/754873
- By:
- Publication type:
- Article
15
Silicon buckyballs versus prismanes: Influence of spatial confinement on the structural properties and optical spectra of the Si<sub>18</sub>H<sub>12</sub> and Si<sub>19</sub>H<sub>12</sub> clusters.
- Published in:
- International Journal of Quantum Chemistry, 2018, v. 118, n. 15, p. 1, doi. 10.1002/qua.25609
- By:
- Publication type:
- Article
16
Ab initio Study of Hydrogen Adsorption on Metal-Decorated Borophene-Graphene Bilayer.
- Published in:
- Energies (19961073), 2021, v. 14, n. 9, p. 2473, doi. 10.3390/en14092473
- By:
- Publication type:
- Article
17
Thermal Stability and Vibrational Properties of the 6,6,12-Graphyne-Based Isolated Molecules and Two-Dimensional Crystal.
- Published in:
- Materials (1996-1944), 2023, v. 16, n. 5, p. 1964, doi. 10.3390/ma16051964
- By:
- Publication type:
- Article
18
Energy and Electronic Properties of Nanostructures Based on the CL-20 Framework with the Replacement of the Carbon Atoms by Silicon and Germanium: A Density Functional Theory Study.
- Published in:
- Materials (1996-1944), 2022, v. 15, n. 19, p. 6577, doi. 10.3390/ma15196577
- By:
- Publication type:
- Article
19
On the Impact of Substrate Uniform Mechanical Tension on the Graphene Electronic Structure.
- Published in:
- Materials (1996-1944), 2020, v. 13, n. 20, p. 4683, doi. 10.3390/ma13204683
- By:
- Publication type:
- Article
20
Theoretical Studies of the Stone-Wales Defect in C<sub>36</sub> Fullerene Embedded inside Zigzag Carbon Nanotube.
- Published in:
- Advances in Physical Chemistry, 2016, p. 1, doi. 10.1155/2016/1862959
- By:
- Publication type:
- Article
21
Geometry, Energy, and Some Electronic Properties of Carbon Polyprismanes: Ab Initio and Tight-Binding Study.
- Published in:
- Advances in Physical Chemistry, 2015, p. 1, doi. 10.1155/2015/506894
- By:
- Publication type:
- Article
22
Molecular dynamics simulation of nickel-coated graphene bending.
- Published in:
- Micro & Nano Letters (Wiley-Blackwell), 2018, v. 13, n. 2, p. 160, doi. 10.1049/mnl.2017.0460
- By:
- Publication type:
- Article