F
Fernando Robles
Researcher at Benemérita Universidad Autónoma de Puebla
Publications - 5
Citations - 68
Fernando Robles is an academic researcher from Benemérita Universidad Autónoma de Puebla. The author has contributed to research in topics: Intermolecular force & Natural bond orbital. The author has an hindex of 3, co-authored 5 publications receiving 56 citations.
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Journal ArticleDOI
Quantitative analysis of weak non-covalent interactions in (Z)-3-(4-halophenyl)-2-(pyridin-2/3/4-yl)acrylonitriles
TL;DR: In this article, a detailed experimental and theoretical investigation on the intermolecular interactions in (Z)-3-(4-halophenyl)-2-(pyridin-2/3/4-yl)acrylonitriles is reported.
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Two Different Emissions of (2Z)-2-(4-Bromophenyl)-3-[4-(dimethylamino)phenyl]prop-2-enenitrile Due to Crystal Habit and Size: Synthesis, Optical, and Supramolecular Characterization
Judith Percino,Margarita Cerón,Perumal Venkatesan,Paulina Ceballos,Alejandro Bañuelos,Oscar Rodríguez,Maxime A. Siegler,Fernando Robles,Víctor M. Chapela,Guillermo Soriano-Moro,Enrique Pérez-Gutiérrez,José Bonilla-Cruz,Subbiah Thamotharan +12 more
TL;DR: Optical and X-ray diffraction characterizations of (2Z)-2-(4-bromophenyl)-3-[4-(dimethylamino)phenyl]prop-2-enenitrile (Z-4-BrPhDMAPhACN) are reported in this article.
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Quantitative analysis of intermolecular interactions in 2,2’-((4-bromophenyl)methylene)bis(3-hydroxy-5,5-dimethylcyclohex-2-en-1-one): insights from crystal structure, PIXEL, Hirshfeld surfaces and QTAIM analysis
Subbiah Thamotharan,Jagatheeswaran Kothandapani,Subramaniapillai Selva Ganesan,Natarajan Sathiyamoorthy Venkataramanan,Shankar Madan Kumar,Kullaiah Byrappa,Judith Percino,Fernando Robles +7 more
TL;DR: In this article, a crystallographic study of 2,2'-((4-bromophenyl)methylene) bis(3-hydroxy-5,5-dimethylcyclohex-2-en-1-one) reveals that the compound crystallizes in the centrosymmetric space group.
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Experimental and Theoretical Insights into the Optical Properties and Intermolecular Interactions in Push‐Pull Bromide Salts
Perumal Venkatesan,Margarita Cerón,Enrique Pérez-Gutiérrez,Armando E. Castillo,Subbiah Thamotharan,Fernando Robles,Maxime A. Siegler,M. Judith Percino +7 more
TL;DR: Experimental and theoretical insights into the nature of intermolecular interactions and their effect on optical properties of 1‐allyl‐4‐(1‐cyano‐2‐(4‐dialkylaminophenyl)vinyl)pyridin‐1‐ium bromide salts (I and II) are reported.
Journal ArticleDOI
Insights from QM/MM-ONIOM, PIXEL, NBO and DFT calculations: The molecular conformational origins for optical properties on (Z)-2-phenyl-3-(4-(pyridin-2-yl)-phenyl) acrylonitrile polymorphs
Perumal Venkatesan,Margarita Cerón,Enrique Pérez-Gutiérrez,Subbiah Thamotharan,Fernando Robles,Paulina Ceballos,M. Judith Percino +6 more
TL;DR: In this article, the optical properties on two polymorphic structures of (Z)-2-phenyl-3-(4-(pyridin-2-yl)- phenyl)acrylonitrile (PPyPAN) have been studied by the TD-DFT and QM/MM-ONIOM approaches.