Volume 143, Issue 5 | Theoretical Chemistry Accounts

Theoretical Chemistry Accounts

Theory, Computation, and Modeling

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Volume 143, Issue 5

May 2024

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6 articles in this issue

Permanent electric dipole moment of diatomic molecules using relativistic extended–coupled–cluster method
Haimyapriya Buragohain
Kaushik Talukdar
Malaya K. Nayak
Research 10 May 2024 Article: 43
A theoretical study of the comparison of gas-phase electronic properties and structure of pyridinium-based ionic liquids with different anions (chloride, bromide and iodide)
Zahra Fakhri
Azim Soltanabadi
Afsaneh Maleki
Research 04 May 2024 Article: 42
Investigation of solvent effects on the aromaticity of hydroxybenzenes, considering magnetically induced current densities in adducts with explicit water molecules
Liliana Mammino
Luis Alvarez-Thon
Research 28 April 2024 Article: 41
On the shoulder of giants
J. C. Sancho-García
Editorial 24 April 2024 Article: 40
Performance of C₆₀ fullerene, pristine, and Si/Al-doped B₁₂N₁₂ fullerenes as potential sensor for dacarbazine drug
Afsaneh Maleki
Sheida Esmaielzadeh
Sara Fakhraee
Research 22 April 2024 Article: 39
Silatranes and germatranes as the systems with intramolecular tetrel bonds
Ekaterina V. Bartashevich
Roman L. Regel
Vladimir G. Tsirelson
Correspondence 16 April 2024 Article: 38