2025 | BUAP Polymers

Exploration of charge-assisted hydrogen bonds and weak intermolecular interaction networks in 1-hydroxy-2,2,6,6-tetramethylpiperidin-1-ium hydrogen (2-methacrylamidophenyl)arsonate: Insights from crystallographic, PIXEL energy, and QTAIM analyses.

Perumal Venkatesan, A. Anandan, S. Pasupathi, Margarita Cerón, Enrique Pérez-Gutiérrez, Paulina Ceballos, Miriam F. Beristain , María Eugenia Patiño, Subbiah Thamotharan, M. Judith Percino, Computational and Theoretical Chemistry, 1252, 2025, 115399, https://doi.org/10.1016/j.comptc.2025.115399

Weak noncovalent interactions of 2,4-disubstituted pyrimidine-5-carbonitriles: Insights from quantum chemical calculations, molecular docking, and molecular dynamics simulations.

Lamya H. Al-Wahaibi, Thirumani Logalakshmi, Olivier Blacque, Hanan M. Hassan, M. Judith Percino, Ali A. El-Emam , Subbiah Thamotharan b Journal of Molecular Structure, Volume 1348, Part 2, 2025, 143504, https://doi.org/10.1016/j.molstruc.2025.143504

Impact of chlorine substitution on supramolecular architecture and non-covalent interactions in Ethyl 2-amino-6-chloro-4-aryl-7-hydroxy-4H-benzo[4,5-e]pyran-3-carboxylate Isomers: a combined experimental, crystallographic, theoretical, and antioxidant stu

Paul Daniel Jebaraj, Michael Purushothaman, Karuppiah Loganathan, M. Judith Percino, Vijay Thiruvenkatam & Perumal Venkatesan, Structural Chemistry, 2025, https://doi.org/10.1007/s11224-025-02557-9

Synthesis and crystal structure of catena-poly[[bis(nitrato-κO,O′)strontium(II)]-di-μ-l-histidine-κO,O′:O;κO:O′].

Sathish Marimuthu, Thangavelu Balakrishnan, M. Judith Percino and Perumal Venkatesan, Acta Crystallographica Section E: Crystallographic Communications, 2025, 81(Pt 7):591-594, 10.1107/S2056989025004694

Experimental and computational investigations of two N′-(adamantan-2-ylidene)-substituted benzohydrazide derivatives: crystal structures, antiproliferative activity, molecular docking, and molecular dynamic simulations.

Lamya H. Al-Wahaibi, Annesha Chakraborty, Eman T. Warda, Olivier Blacque, Hanan M. Hassan, M. Judith Percino, Ali A. El-Emam & Subbiah Thamotharan, Structural Chemistry, 2025, 1-18.

Optoelectronic and NLO potential of styryl-functionalized nitroisoxazoles for OLED technologies.

Karen Acosta-Quiroga, Efraín Polo-Cuadrado, M. Judith Percino, Edgard Blanco-Acuña, David Villaman, Enrique Pérez-Gutiérrez, María Eugenia Patiño, Joel B. Alderete, Ricelia Gonzalez, Jorge Saavedra-Olavarría, Edwin G. Pérez, Claudio Olea-Azar, Mauricio Moncada-Basualto and Cristian Rojas-Peña, J. Mater. Chem. C, 2025,13, 9083-9098.

Physicochemical Properties of (Z)-3-(4-((Hydroxymethyl)(methyl)amino) phenyl)-2-(4-halophenyl) Acrylonitriles: A Comprehensive Experimental and Theoretical Study.

Venkatesan Perumal, Enrique Pérez-Gutiérrez, Margarita Cerón, Miriam F. Beristain, Paulina Ceballos, Thamotharan Subbiah, M. Judith Percino, Journal of Molecular Structure, 1336, 2025, 142043.

Integrated experimental and computational investigations of crystal structure, and photophysical properties of 2,7-dibromo-9-(4-halobenzylidene)-9H-fluorene frameworks.

Miriam F. Beristain, Enrique Pérez-Gutiérrez, Margarita Cerón, Perumal Venkatesan, Subbiah Thamotharan, M. Judith Percino, Journal of Molecular Structure, 2025, 1337 (26):142171

Evaluation of weak noncovalent interactions in three regioisomeric benzylideneaniline derivatives: An integrated crystallographic and theoretical approach.

A. Subashini, P. Venkatesan, G.Thulasi Prasanna, R. Kumaravel, M. Judith Percino, Helen Stoeckli-Evans, K. Ramamurt, Computational and Theoretical Chemistry, 2025, 1244, 115064.