Computational and Theoretical Chemistry : Impact Factor & More
eISSN: 1872-7999pISSN: 2210-271X
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Aims and Scope of Computational and Theoretical Chemistry
Computational and Theoretical Chemistry is a peer-reviewed scientific journal published by Elsevier. It was established in 1985 as Journal of Molecular Structure: THEOCHEM, a spin-off of the Journal of Molecular Structure. It obtained its current name in 2011 and covers molecular structure in theoretical chemistry. Less
Key Metrics
CiteScore 
3.1
Impact Factor
< 5
SJR
Q3Biochemistry
SNIP
0.56
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Topics Covered on Computational and Theoretical Chemistry
Computational and Theoretical Chemistry Journal Specifications
| Overview | |
| Publisher | ELSEVIER |
| Language | English |
| Frequency | Monthly |
| General Details | |
| Language | English |
| Frequency | Monthly |
| Publication Start Year | 2011 |
| Publisher URL | Visit website |
| Website URL | Visit website |
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Recently Published Papers in Computational and Theoretical Chemistry
Mapping the binding site of salbutamol using potential energy surfaces: revisiting the three-point interaction model
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A DFT study on the structural, electronic, and catalytic properties of CuₙSnₙ (n = 2–14) clusters
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The role of Zr and ZrO2 in promoting hydrogen storage on Mg Al alloys: A DFT analysis
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DFT study of the structural, electronic, and optical properties of SiAs, SiGe, and SiSn quantum dots with potential implications for nanoelectronic and sensing applications
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Vibrational energy level scheme of the BCH radical: A theoretical study of Renner-teller coupling
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The role of Zr and ZrO2 in promoting hydrogen storage on Mg Al alloys: A DFT analysis
- 1 Jul 2026
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