Facultad de Química

Oct 29, 2024 | pubs.rsc.org | Facultad de Química |Universidad Autónoma |de México |Cd Universitaria

Temperature and external fields in conceptual density functional theory Until quite recently, Conceptual DFT (CDFT) was mainly based on the energy functional, E[N,v], where the number of electrons N and the external potential v are state variables. One of the strengths of CDFT, however, is the ease with which additional and/or different state variables can be incorporated.

Oct 16, 2024 | onlinelibrary.wiley.com | Instituto de Física |Ciudad Universitaria |Facultad de Química

The material organization of signs, diagrams and symbols has had a great impact in the production of scientific knowledge (Francoeur, 2001). For point- and space-group symmetry and their diagrammatic representation, the closer cooperation that started in 1929 between crystallographers at an international level gave rise to the preparation of standardized space-group tables and crystallographic nomenclature (Brock, 2014). The latest editions of International Tables for Crystallography, Vol.

Sep 20, 2024 | onlinelibrary.wiley.com | De la Flor |Departamento de Física |Facultad de Química

The pandemic of 2020 caused a sudden change in every aspect of our lives, transforming how we interact and socialize with others, as well as revolutionizing our way of working. The field of education was not exempt from this change, as educators were forced to transition their classes from in-person to remote learning.

Aug 5, 2024 | pubs.rsc.org | Facultad de Química |Circuito Interior |Ciudad Universitaria |Diego A. Roa

New mononuclear Cu(i) compounds: synthesis, characterization, and application to the electroreduction of CO2† This report includes the preparation of a new set of well-defined Cu(I) catalytic precursors of the type [Cu(diphosphine)(PPh3)NO3] and [Cu(diphosphine)NO3], fully characterized by regular analytical methods, including single-crystal XRD (X-ray diffraction).

Mar 23, 2024 | academic.oup.com | Ciudad Universitaria |Facultad de Química |Facultad de Ciencias |Camacho Carranza

An ethanol extract of Piper auritum leaves (PAEE) inhibits the mutagenic effect of three food-borne aromatic amines (2-amino-1-methyl-6-phenylimidazo[4,5-b]pyridine (PhIP); 2-amino-3,8-dimethylimidazo[4,5-f]quinoxaline (MeIQx); 2-amino-3,4,8-trimethylimidazo[4,5-f]quinoxaline (4,8-DiMeIQx) in the TA98 Salmonella typhimurium strain.