Volume 142, Issue 7 | Theoretical Chemistry Accounts

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Volume 142, Issue 7

July 2023

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4 articles in this issue

Theoretical prediction for redox potentials of oxygen-centered organic anions in aprotic solvents
Xinhong Wang
Fangya Li
Jianyu Zhang
Research 21 July 2023 Article: 62
A DFT investigation on transition metal (Co, Cr, Cu, Mn, Mo and Nb)-doped bismuth ferrite oxide (BiFeO₃) for CO gas adsorption
Amogh A. Sambare
Ramkisan Pawar
Mahendra Shirsat
Research 20 July 2023 Article: 61
Details of CO₂ electrochemical reduction reaction (CO₂ERR) on Mn–MoS₂ monolayer: a DFT study
Amos Afugu
Caroline R. Kwawu
Evans Adei
Research 19 July 2023 Article: 60
A structure and spectroscopy study about [16]cycloparaphenylene chiral molecule
Baozhu Yang
Shuang Huang
Research 14 July 2023 Article: 59