Structure · dataset · 2018
Data for: H2 STORAGE BY CONFINEMENT INSIDE GERMANIUM NANOTUBES.
Listed in Teesside University Research Data Repository
Theoretical study of the anti-human immuno-deficiency virus TIBO molecule confined into carbon nanotubes Y Belmiloud, M Ouraghi, M Brahimi, A Benaboura, D Charqaoui, ...
Description
Journal of Computational and Theoretical Nanoscience 9 (8), 1101-1108 15 2012 QSAR studies of HEPT derivatives using support vector machines R Darnag, A Schmitzer, Y Belmiloud, D Villemin, A Jarid, A Chait, ... Molecular Informatics 28 (6‐7), 709-718 13 2009 Controlling drug efficiency by encapsulation into carbon nanotubes: A theoretical study of the antitumor Cisplatin and the anti-HIV TIBO molecules R Bessrour, Y Belmiloud, Z Hosni, B Tangour AIP Conference Proceedings 1456 (1), 229-239 12 2012 Hartree-Fock, Post Hartree-Fock and density functional theory studies on structure and conformational stability of N-Methylen-Formamide (NMF) and substituted com...
M Brahimi, Y Belmiloud, D Kheffache Journal of Molecular Structure: THEOCHEM 759 (1-3), 1-10 7 2006 First principles calculations of a H2 molecule inside boron-nitrogen nanotubes Y Belmiloud, W Djitli, H Abdeldjebar, ML Abdelatif, B Tangour, M Brahimi Superlattices and Microstructures 101, 547-558 6 2017 Quantitative structure-activity relationship studies of TIBO derivatives using support vector machines R Darnag, A Schmitzer, Y Belmiloud, D Villemin, A Jarid, A Chait, ...
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SAR and QSAR in Environmental Research 21 (3-4), 231-246 5 2010 Theoretical studies of the contraction and extension effect in the β-ring of TIBO derivatives Y Belmiloud, A Kadari, M Brahimi, D Cherquaoui, D Villemin, A Schmitzer BIOSCIENCES BIOTECHNOLOGY RESEARCH ASIA 5 (2), 507-514 2 2008 Organobase catalysed one-pot exo-selective synthesis of meso-spiro [cyclohexanone-pyrandione] derivatives O Talhi, H Abdeldjebar, Y Belmiloud, R Hassaine, N Taibi, M Válega, ...
New Journal of Chemistry 41 (19), 10790-10798 1 2017 Theoretical study on the self, water-assisted and au-to-assisted dimer proton transfer reaction in the n-hydroxy-methylen-formamide R Larabi, Y Belmiloud, M Brahimi Open Journal of Physical Chemistry 1 (02), 37 1 2011 HF, DFT Studies and NBO Analysis of Phosphazenes and Its-Na+ Complex ML Abdelatif, Y Belmiloud, M Brahimi Asian Journal of Chemistry 21 (7), 5029 1 2009 Theoretical Study of the Linear Short-Chain Phosphazene-Na Complexes ML Abdellatif, B Maouche, Y Belmiloud, N Triaki, M Brahimi Open Structural Biology Journal 3, 26-33 1 2009 Theoretical Study on the Chemical Reactivity in the Armchair Single-walled Carbon Nanotube: Proton and Methyl Group Transfer B Achouri, Y Belmiloud, M Brahimi Physical Chemistry Research 5 (2), 239-251 2017 Etude théorique de la structure et de réactivité des imidates N-acyles Y Belmiloud, D Kheffache, M Brahimi 2015 Modélisation théorique de la séparation d'énantiomères dans un mélange racémique Y Belmiloud 2009 Application of neural network to quantitative structure anti-HIV activity relationships of flavonoid compounds
Links
Where it is published
- DOI doi.org/10.17632/cdz5tc7rnb.1 ↗
DOI / persistent id · from researchdata tees ac uk
Catalogue records · 1
- OAI-PMH record data.mendeley.com/oai?verb=GetRecord&metadataPrefix=oai_dc&identifier=oai%3Adata… ↗
metadata API · from researchdata tees ac uk
Topics
- From keywords
- Earth & Environmental Science · Materials Science
- Inferred from text
- Density functional theory 75%
Provenance · 1 source records, 8 field assertions
| Source | Key | Last seen | Raw |
|---|---|---|---|
| Teesside University Research Data Repository | oai:data.mendeley.com/cdz5tc7rnb.1 | 17 h ago | JSON v1 |
| Field | Assertion | Extractor | Evidence |
|---|---|---|---|
| access_level | source · researchdata tees ac uk | connector:researchdata_tees_ac_uk@1.0.0 | |
| concepts[field].local:field:earth-environmental | mapping · researchdata tees ac uk | connector:researchdata_tees_ac_uk@1.0.0 | |
| concepts[field].local:field:materials-science | mapping · researchdata tees ac uk | connector:researchdata_tees_ac_uk@1.0.0 | |
| concepts[method].local:method:dft | enrichment · researchdata tees ac uk | keyword-concept-rules@1.0.0 | title+description (75%) |
| description | source · researchdata tees ac uk | connector:researchdata_tees_ac_uk@1.0.0 | /metadata/dc/description |
| license | source · researchdata tees ac uk | connector:researchdata_tees_ac_uk@1.0.0 | /metadata/dc/rights |
| publication_date | source · researchdata tees ac uk | connector:researchdata_tees_ac_uk@1.0.0 | |
| title | source · researchdata tees ac uk | connector:researchdata_tees_ac_uk@1.0.0 | /metadata/dc/title |