Category Archives: Computational chemistry

Congrats for this new article!

Posted on March 22, 2020 by mmaamarq

Sulfonamide as amide isostere for fine-tuning the gelation properties of physical gels, Alegre-Requena, J. V.; Grijalvo, S.; Sampedro, D.;  Mayr, J.;  Saldías, C.; Marrero-Tellado, J. J.; Eritja, R.; Herrera, R. P.; Díaz, D. D. RSC Adv. 2020, 10, 11481-11492. Abstract. … Continue reading →

Posted in Biological activity, Collaboration, Computational chemistry, Gel, Publication, Raquel P. Herrera | Tagged , , , , , , , , , | Leave a comment

Just accepted, congratulations!

Posted on February 5, 2020 by mmaamarq

Asymmetric organocatalyzed aza‐Henry reaction of hydrazones: experimental and computational studies, Sonsona, I. G.; Alegre-Requena, J. V.; Marqués-López, E.; Gimeno, M. C.; Herrera, R. P. Chem. Eur. J. 2020, DOI: 10.1002/chem.202000232   Abstract. The first asymmetric catalyzed aza‐Henry reaction of hydrazones … Continue reading →

Posted in Computational chemistry, Eugenia Marqués-López, Henry, Organocatalysis, Publication, Raquel P. Herrera | Tagged , , , , , , , , , , | Leave a comment

Synergistic catalysis as well as synergistic teamwork

Posted on March 14, 2019 by mmaamarq

Proline bulky substituents consecutively act as steric hindrances and directing groups in a Michael/Conia-ene cascade reaction under synergistic catalysis, Putatunda, S.; Alegre-Requena, J. V.; Meazza, M.; Franc, M.; Rohaľová, D.; Vemuri, P.; Císařová, I.; Herrera, R. P.; Rios, R.; Veselý, … Continue reading →

Posted in Collaboration, Computational chemistry, Publication, Raquel P. Herrera | Tagged , , , , , , , , , , , , , , | Leave a comment

Deepening the knowledge of Henry reaction catalyzed by squaramides

Posted on August 19, 2017 by mmaamarq

We have just published very interesting studies about the Henry reaction, which allow understanding more in detail the activation of the substrates by a very effective squaramide. Enjoy them… Congratulations Juanvi! “Push−Pull π+/π−” (PPππ) Systems in Catalysis, Alegre Requena J. … Continue reading →

Posted in Computational chemistry, Eugenia Marqués-López, Organocatalysis, Publication, Raquel P. Herrera, Research, Squaramide | Tagged , , , , , , , , , | Leave a comment

Exploring new audiences and forums!

Posted on February 1, 2017 by mmaamarq

Juanvi, has recently attended to the 8th European Symposium on Computing π-Conjugated Compounds, celebrated in Malaga from Jan. 27th to 28th. There, he presented an oral communication about the most recent results of his doctoral thesis in the field of … Continue reading →

Posted in Computational chemistry, Conference, Congress, Meeting, Organocatalysis, Research, Squaramide | Tagged , , , , , , , , , | Leave a comment