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- Airan F. S. Brito, Adélia J. A. Aquino, José Roberto dos Santos Politi, João B. L. Martins. Infrared Spectroscopy of Ethanethiol Monomers and Dimers at MP2 Level: Characterizing the Dimer Formation and Hydrogen Bond. Journal of Computational Chemistry, 46(1), 2025.
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- Jonathan M. Waldrop, Ajay Panyala, Daniel Mejia-Rodriguez, Theresa L. Windus, Niranjan Govind. Projector-Based Quantum Embedding Study of Iron Complexes. Journal of Computational Chemistry, 46(3), 2025.
- Ulviyya Askerova, Yusif Abdullayev, Namiq Shikhaliyev, Avtandil Talybov, Jochen Autschbach. Can Water Trigger Room-Temperature Formation of Benzofuran-2(3H)-one Scaffolds From Vinyldiazene Derivatives? Computational Insights Into an Unusual Cyclization. Journal of Computational Chemistry, 46(10), April 2025.