Results 21 to 30 of about 34,775 (190)
Electron dynamics in complex environments with real-time time dependent density functional theory in a QM-MM framework [PDF]
, 2014 This article presents a time dependent density functional theory (TDDFT) implementation to propagate the Kohn-Sham equations in real time, including the effects of a molecular environment through a Quantum-Mechanics Molecular-Mechanics (QM-MM ...
González Lebrero, Mariano Camilo +5 more
core +1 more source
Single-Ion Magnets Based on Mononuclear Cobalt(II) Complexes with Sulfadiazine [PDF]
, 2016 The already reported monomeric complex Co(SDZ)2bpy (1) and the new ternary complex Co(SDZ)2(6MQ)2 (2) (SDZ = sulfadiazine, bpy = 2,2′‐bipyridine, and 6MQ = 6‐methoxyquinoline) have been synthesized in order to study their magnetic properties.
Abragam +49 more
core +1 more source
Química inorgánica ¿Teoría o realidad?
Educación Química, 2018 En las últimas décadas, los libros de química inorgánica han aumentado de manera muy sustancial la cantidad de sus páginas, debido principalmente a la necesidad de cubrir temas como estructura...
Laura Gasque Silva
doaj +1 more source
The effect of chalcogen substitution on the structure and spectroscopy of 4,7-dimethyl-2: H -chromen-2-one/thione analogues [PDF]
, 2017 4,7-Dimethyl-2H-chromen-2-one (1) and its novel sulfur analogue 4,7-dimethyl-2H-chromen-2-thione (2) were synthesized and fully characterized by spectroscopic methods and mass spectrometry. The crystal structure of compound 2 has been determined by X-ray
Delgado Espinosa, Zuly Yuliana +5 more
core +2 more sources
Rearrangement of Imidazolidine to Piperazine Rings in the Presence of DyIII
Chemistry Proceedings, 2022 The formation of imidazolidines from secondary amines and aldehydes is well known. This small cycle can act as a nitrogen donor, and it is usually stable when it coordinates to metal ions.
Julio Corredoira-Vázquez +4 more
doaj +1 more source
La importancia del vanadio en los seres vivos
Educación Química, 2015 El descubrimiento de organismos con concentraciones de vanadio superiores a las normales, aunado al desarrollo de la química bioinorgánica, ha despertado interés por entender a fondo las funciones biológicas que este elemento pueda desempeñar y las ...
Damián Alexander Contreras-Cadena +5 more
doaj +1 more source
Educación Química, 2023 Los juegos educativos han demostrado en los últimos años que son herramientas pedagógicas útiles y eficientes, ya que contribuyen a la enseñanza y el aprendizaje en un ambiente distendido.
Antonio Reina +5 more
doaj +1 more source
Software educativo en la supervisión de la Química Inorgánica II
Educación QuímicaSe dice que la Química es una ciencia abstracta, y para demostrar sus conceptos es necesario usar esquemas y representaciones, y todavía es considerada difícil de entender por muchos estudiantes.
Antônio Rony da Silva Pereira Rodrigues
doaj +1 more source
Bioinorganic Chemistry and Applications, 2023 Piano-stool-{CpRu} complexes containing 1,3,5-triaza-7-phosphaadamantane (PTA), N-methyl-1,3,5-triaza-7-phosphaadamantane (mPTA), and 3,7-dimethyl-1,3,7-triaza-5-phosphabyciclo[3.3.1]nonane (dmoPTA) were evaluated as drugs against breast cancer.
Andres Alguacil +8 more
doaj +1 more source
Dysprosium(III)-Mediated Carboxylate Formation from a Schiff Base
Chemistry Proceedings, 2021 This work describes an uncommon new case of imine hydrolysis, leading to the formation of a carboxylate group. The conditions of the media that favor this conversion, which seem to be mediated by the presence of DyIII, are analyzed.
Julio Corredoira-Vázquez +4 more
doaj +1 more source