Adsorption properties of metal functionalized fullerene (C59Au, C59Hf, C59Ag, and C59Ir) nanoclusters for application as a biosensor for hydroxyurea (HXU) …
This theoretical study was conducted to evaluate the efficiency of fullerene C60 and its metal
functionalized nano clusters (C59Au, C59Hf, C59Ag and C59Ir) as a sensor for hydroxyurea …
functionalized nano clusters (C59Au, C59Hf, C59Ag and C59Ir) as a sensor for hydroxyurea …
Computational design and molecular modeling of the interaction of nicotinic acid hydrazide nickel-based complexes with H 2 S gas
The application of nickel complexes of nicotinic acid hydrazide ligand as a potential gas-
sensor and adsorbent material for H2S gas was examined using appropriate density …
sensor and adsorbent material for H2S gas was examined using appropriate density …
Density functional theory (DFT) computation of pristine and metal-doped MC59 (M= Au, Hf, Hg, Ir) fullerenes as nitrosourea drug delivery systems
In recent times, C 60 fullerene and its derivatives have drawn increasing attention in
nanomedicine due to their bioavailability and low toxicity. Herein, we investigated the …
nanomedicine due to their bioavailability and low toxicity. Herein, we investigated the …
Modeling of Al12N12, Mg12O12, Ca12O12, and C23N nanostructured as potential anode materials for sodium-ion battery
The rising costs of lithium and other versatile metals which are of electrochemical
importance have sprouted concerns in the electrochemical world. Sodium and sodium-ion …
importance have sprouted concerns in the electrochemical world. Sodium and sodium-ion …
Detection of hydroxymethanesulfonate (HMS) by transition metal-anchored fullerene nanoclusters
Herein, theoretical study on the adsorption and detection of hydroxymethanesulfonate (HMS-
CH 3 O 4 S) gas onto the surfaces of transition metal dopedfullerene: C23Cr, C23Fe, C23Ni …
CH 3 O 4 S) gas onto the surfaces of transition metal dopedfullerene: C23Cr, C23Fe, C23Ni …
Heteroatoms (B, N, and P) doped on nickel-doped graphene for phosgene (COCl2) adsorption: insight from theoretical calculations
Nanomaterials have been used for different applications including sensing environmental
gases. Exposure to hazardous gas in the environment leads to major health issues such as …
gases. Exposure to hazardous gas in the environment leads to major health issues such as …
Comparative study of the efficiency of silicon carbide, boron nitride and carbon nanotube to deliver cancerous drug, azacitidine: A DFT study
N Baildya, S Mazumdar, NK Mridha… - Computers in Biology …, 2023 - Elsevier
Herein we have made a comparative study of the efficiency of three different nanotubes viz.
Carbon nanotube (CNT), boron nitride nanotube (BNNT) and silicon carbide nanotube …
Carbon nanotube (CNT), boron nitride nanotube (BNNT) and silicon carbide nanotube …
Investigation on the molecular, electronic, biological and spectroscopic properties of a novel cobalt complex: An intuition from an experimental and computational …
The preparation, spectroscopic, biological and electrical characterization, in addition of the X-
ray crystal structure investigation of a novel tree-dimensional compound [C 6 H 16 N 2 Co …
ray crystal structure investigation of a novel tree-dimensional compound [C 6 H 16 N 2 Co …
Organochlorine detection on transition metals (X=Zn, Ti, Ni, Fe, and Cr) anchored fullerenes (C23X)
Abstract Herein, the Kohn‐Sham K density functional theory (DFT) approach has been
employed to investigate the adsorption and sensing efficacy of C23X (X= Zn, Ti, Ni, Fe, and …
employed to investigate the adsorption and sensing efficacy of C23X (X= Zn, Ti, Ni, Fe, and …
B-and Al-doped porous 2D covalent organic frameworks as nanocarriers for biguanides and metformin drugs
Nanostructures such as nanosheets, nanotubes, nanocages, and fullerenes have been
extensively studied as potential candidates in various fields since the advancement of …
extensively studied as potential candidates in various fields since the advancement of …