Item
Journal

Computational and Theoretical Chemistry

Ttile
Computational and Theoretical Chemistry
ISSN
2210-271X
Publisher (Journal )
Elsevier
Country (Journal )
Netherlands
Website
www.sciencedirect.com

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Items of item set: Publications
Title Item sets
Performance enhancement of dye-sensitized solar cells based on nitrogen-doped graphene quantum dots
Molecular insights into the sensing function of an oxidized graphene flake for the adsorption of Avigan antiviral drug
Uncovering the remarkable electrochemical performance of B2N2 monolayer as a promising candidate for Mg-ion batteries
Formaldehyde chemical sensor based on the Pt- and Pd-decorated GaN nanotubes
An enhanced adsorption of paracetamol drug using the iron-encapsulated boron carbide nanocage: DFT outlook
A DFT study the role of pristine and metal doped of g-CN nanosheet for drug delivery system
The ability of C70 doped nanocage to identify the metronidazole drug: Electronic study via DFT
A facile platform of kidney failure detection through the creatinine biomarker adsorption by a zinc-doped nanocone along with computational assessments
Evaluate the potential of BC3 nanosheet in the recognition Methamphetamine drug concentration in the human body: Insights from simulation in the field of medicine
Density functional theory analyses of an iron-doped nanocage for the adsorption of allopurinol drug towards the development of novel carriers
Investigation of structural engineering on the adsorption of thioguanine drug by ZnO nanotube: Density functional theory study
Exploring the interaction between graphyne and Purinethol: A DFT study of drug loading capacity
Understanding adsorption ability of CNT (6, 6-6) and BNNT (6, 6-7) nanotubes for a novel hybrid pyrazole-indole drug, InPy-7a
Characterization of o-B2N2 monolayer surface for effective sensing and detection of toxic nitrogen oxides
BC3-C3N monolayer for nitrosourea drug delivery: A DFT study
The possibility of using the Zn (II) Butadiyne-linked porphyrin nanoring for detection and adsorption of AsH3, NO2, H2O, SO2, CS2, CO, and CO2 gases
The adsorption of amantadine antiparkinsonian drug on the B24N24 and Al24N24 nanoclusters: An investigation using the density functional theory
Enhancing biphenylene sensitivity for BF3 detection via nitrogen doping: A DFT study
Assessing the structural and electronic features of C24, B12C12 and Al12C12 fullerenes for the adsorption of methimazole to develop potential drug delivery systems
The computational investigation of the role of pristine and metal-doped BC2N nanotubes for sensitive detection of ciclopirox drug
Resource class
Journal
Item sets
Journals

Part of Computational and Theoretical Chemistry