Found: 12
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Evaluating shock sensitivity and decomposition of energetic materials by ReaxFF molecular dynamics.
- Published in:
- Journal of Materials Science, 2024, v. 59, n. 1, p. 114, doi. 10.1007/s10853-023-09179-8
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- Article
Theoretical Investigation on Structure-Property Relationship of Asymmetric Clusters (CH<sub>3</sub>FBN<sub>3</sub>)<sub>n</sub> (n = 1– 6).
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- Journal of Chemistry, 2020, p. 1, doi. 10.1155/2020/4106562
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- Article
Potential Functions and Thermodynamic Properties of UC, UN, and UH.
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- Journal of Chemistry, 2020, p. 1, doi. 10.1155/2020/7512737
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- Article
Effect of Nitrogen Cation as "Electron Trap" at π-Linker on Properties for p-Type Photosensitizers: DFT Study.
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- Molecules, 2019, v. 24, n. 17, p. 3134, doi. 10.3390/molecules24173134
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- Article
Coriolis coupling effects in the dynamics of the D(<sup>2</sup>S) + NH(X<sup>3</sup>Σ<sup>−</sup>) → N(<sup>4</sup>S) + HD(X<sup>1</sup>Σ<sub>g</sub><sup>+</sup>) reaction and its kinetic isotope effect
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- Journal of Mathematical Chemistry, 2019, v. 57, n. 2, p. 465, doi. 10.1007/s10910-018-0958-6
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- Article
Theoretical study on the structural, vibrational, and thermodynamic properties of the (BrGaN) ( n = 1-4) clusters.
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- Journal of Molecular Modeling, 2012, v. 18, n. 3, p. 905, doi. 10.1007/s00894-011-1126-0
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- Article
Structures and properties of (H2GaN3)n (n = 1–4) clusters: A DFT study.
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- International Journal of Quantum Chemistry, 2004, v. 100, n. 3, p. 301, doi. 10.1002/qua.20175
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- Article
DFT study of dimethylaluminum azide clusters: Structures, energies, frequencies and thermodynamic properties.
- Published in:
- Chinese Journal of Chemistry, 2004, v. 22, n. 11, p. 1245, doi. 10.1002/cjoc.20040221107
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- Article
Theoretical Study on Intermolecular Interactions and Thermodynamic Properties of Difluoroamine Complex.
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- Chinese Journal of Chemistry, 2003, v. 21, n. 11, p. 1440, doi. 10.1002/cjoc.20030211109
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- Article
DFT study on cooperativity in the interactions of hydrazoic acid clusters.
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- International Journal of Quantum Chemistry, 2003, v. 94, n. 5, p. 279, doi. 10.1002/qua.10643
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- Article
Influences of Brönsted Acidic Sites in H[Al]ZSM-5 on Polarization and Electronegativity of Ethene Studied by Molecular Dynamics.
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- Chinese Journal of Chemistry, 2002, v. 20, n. 7, p. 638, doi. 10.1002/cjoc.20020200704
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- Article
Comparison of Ethene Diffusion Characteristics in H[Al]ZSM-5 at 300 K and 400 K by Molecular Dynamics.
- Published in:
- Chinese Journal of Chemistry, 2001, v. 19, n. 3, p. 251, doi. 10.1002/cjoc.20010190308
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- Article