Browsing by Author "ca5a7e62-6ec3-4181-86b2-5a08621ef230"

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    • On the recognition of chloride, bromide and nitrate anions by anthracene-squaramide conjugated compounds: ... 
      Pereira Orenha, Renato; Da Silva, Vanessa Borges; Caramori, Giovanni Finoto; De Souza Schneider, Felipe; Piotrowski, Mauricio Jeomar; Contreras-García, Julia; Cárdenas, Carlos; Briese Goncalves, Marina; Mendizábal Emaldia, Fernando; Parreira, Renato Luis Tame (Royal Society of Chemistry, 2020)
      Anion recognition is widely used in several biological fields. Squaramide derived compounds appear as potential structures to recognize anions. Here, the bond mechanisms between the chloride (Cl-), bromide (Br-) and nitrate ...
    • Real-space approach to the reaction force: understanding the origin of synchronicity/nonsynchronicity in ... 
      Yepes, Diana; Munarriz, Julen; l'Anson, Daniel; Contreras García, Julia; Jaque Olmedo, Pablo (American Chemical Society, 2020)
      In this article, we present a complementary analysis based on the reaction force F(xi)/reaction force constant kappa(xi) and noncovalent interactions (NCI) index to characterize the energetics (kinetic and thermodynamics) ...