State-of-the-art of polyimide films reinforced with fullerene-design, features and applications
A Kausar - Journal of Thermoplastic Composite Materials, 2023 - journals.sagepub.com
Polyimide belongs to the class of high performance polymers containing imide
functionalities in the backbone. Polyimide has wide ranging properties of optical …
functionalities in the backbone. Polyimide has wide ranging properties of optical …
DFT study of TM (Sc–Zn) modified B12N12 nanocage as sensor for N2O gas selective detection
N de Sousa Sousa, WCL do Nascimento… - Sensors and Actuators A …, 2024 - Elsevier
Nitrous oxide (N 2 O) is a toxic gas which has worrying environmental effects. In addition to
its role as a greenhouse gas, N 2 O can also contribute to the destruction of the ozone layer …
its role as a greenhouse gas, N 2 O can also contribute to the destruction of the ozone layer …
Tailoring adsorbents for levodopa detection: a DFT study on Pt-encapsulated fullerene systems
W Maxakato, MN Ogbogu, AP Adeleye, IO Amodu… - RSC …, 2024 - pubs.rsc.org
Despite its effectiveness in managing the motor symptoms of Parkinson's disease, levodopa
therapy is often accompanied by adverse effects that can significantly reduce patients' …
therapy is often accompanied by adverse effects that can significantly reduce patients' …
MnN4 embedded zeolite-templated carbon for methylamine and trimethylamine sensing: Insights from DFT study
Y Li, C Jiang, X Yan - Journal of Molecular Liquids, 2024 - Elsevier
From the perspective of raw material losses and human health, monitoring fish-based food
quality has become more prominent. As a nondestructive technology, gas sensors have …
quality has become more prominent. As a nondestructive technology, gas sensors have …
Nitrogen as a probable problematic factor of computational chemistry: A benchmarking study
In the present study, theoretical IR frequencies and geometric parameters of triamterene,
furosemide, and triamterene-furosemide salt were investigated. ORCA software was …
furosemide, and triamterene-furosemide salt were investigated. ORCA software was …
Adsorption profiles of chlorinated industrial gases on metal (Cu, Mn and Ni) doped fullerenes using DFT, QTAIM and NCI analysis
Nano-clusters are surface-active materials that have sparked a lot of attention among
scientists in chemical research. It has found application in medicine, pharmacy, engineering …
scientists in chemical research. It has found application in medicine, pharmacy, engineering …
Computational studies on transition metal and nitrogen atoms co-doped fullerene as an efficient electrocatalyst for nitrate reduction to ammonia
F Shafiq, L Yang, W Zhu - Structural Chemistry, 2024 - Springer
Persistent accumulation of nitrate in water causes an imbalance in the nitrogen cycle in the
earth, posing a serious risk to human health and the ecosystem. The technique for electro …
earth, posing a serious risk to human health and the ecosystem. The technique for electro …
[PDF][PDF] Facultad de Quımica
EDFT DE LA ADSORCION, MG SOTO… - ru.dgb.unam.mx
En este trabajo se estudi oa nivel de teorıa PBE-D3/6-311G (d, p) en el software Gaussian
09 la adsorci on de CO2, CH4 y N2O en fullerenos C60 dopados sustitucionalmente por un …
09 la adsorci on de CO2, CH4 y N2O en fullerenos C60 dopados sustitucionalmente por un …