Computational and Theoretical Chemistry
- ISSN:
- 2210-271X
1
h-index
14
Citations
13
Works
0.09
2-year mean citedness
Trust signals
1 of 3 signals presentIndependent positive signals — not a single “predatory/legitimate” verdict, but a converging picture.
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- OAK listNo dataOAK
- Valid ISSNPresentISSN
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Trends over time
Performance over time
Citation overview
Publications (bars) and citations (line) by year
- Publications
- Citations
Citation history
Publication history
h-index evolution
Cumulative h-index by year
Most-cited works
- Surface interaction and inhibition mechanism prediction of Aciclovir molecule on Fe (110) using computational model based on DFT, RDF and MD simulation202412 citations
- Enhancing the H2S and SO2 sensing capabilities of WS2 nanosheets by transition metal (Mo, Nb, Zr) adsorption: A DFT study20251 citations
- Two-dimensional metallic Si2BC as a promising and high-performance anode material for magnesium-ion batteries: A DFT study20261 citations
- An enhanced adsorption of paracetamol drug using the iron-encapsulated boron carbide nanocage: DFT outlook20230 citations
- A DFT study of eugenol adsorption onto pure and Si-doped Al12N12 and B12N12 fullerene-like nanocages20240 citations
- Enhanced Corrosion-Inhibition performance of amino Gossypol: A comprehensive theoretical study20240 citations
- Theoretical investigation of Al-doped biphenylene as efficient sensor for phosgene detection20250 citations
- DFT analysis of dimethyl fumarate interactions with B12N12 and B24 nanoclusters for enhanced anticancer drug delivery20250 citations
- Investigation of the detection of Thioguanine anti-cancer drug by using of X12O12 (X = mg, Zn) nanocage20250 citations
- Tailoring the adsorption properties of iridium and osmium cluster functionalized WSe2 nanosheets towards NO2, SO2 and SO2F2 molecules: A DFT study20250 citations