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My research focuses on developing new mathematical and computational tools for describing and predicting chemical processes, especially chemical reactions. Studying how chemical bonds fracture and form requires understanding how the electrons that bind atoms into molecules rearrange during chemical reactions and, more subtly, how different molecular environments influence these rearrangements. Thus, theoretical methods for modeling chemical reactions belong to the realm ofelectronic structure theory, of quantum chemistry.
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JOURNAL OF CHEMICAL PHYSICSno. 4 (2024)
Journal of Mathematical Chemistryno. 3 (2024): 802-808
arxiv(2024)
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JOURNAL OF CHEMICAL THEORY AND COMPUTATIONno. 6 (2024): 2655-2665
Molecules (Basel, Switzerland)no. 7 (2024): 1624
Lecture Notes in Chemistry Electron Localization-Delocalization Matricespp.1-5, (2024)
Ramón Alain Miranda-Quintana, Taewon D Kim,Rugwed A Lokhande, M Richer, Gabriela Sánchez-Díaz, Pratiksha B Gaikwad,Paul W Ayers
Pratiksha B Gaikwad, Taewon D Kim, M Richer,Rugwed A Lokhande, Gabriela Sánchez-Díaz,Peter A Limacher,Paul W Ayers,Ramón Alain Miranda-Quintana
The Journal of chemical physicsno. 14 (2024)
The Journal of chemical physicsno. 4 (2024)
Theoretical Chemistry Accountsno. 2 (2024): 1-2
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