Results 141 to 150 of about 8,189 (212)

Multimodal characterization of a pyrazolo[3,4-<i>b</i>]pyridine aldehyde: quantum chemical insights, NLO activity and VEGFR-2 docking/molecular dynamics. [PDF]

RSC Adv
Acosta-Quiroga K, Jiménez CA, Cobos-Montes K, Rodríguez-Núñez YA, López J, Guerra C, Calderón Orjuela DA, Gutierrez M, Polo-Cuadrado E.   +8 more
europepmc   +1 more source

Evaluation of the catalytic activity of Zn-MOF-74 for the alcoholysis of cyclohexene oxide. [PDF]

RSC Adv, 2023
Flores JG, Obeso JL, Martínez-Jiménez V, Martín-Guaregua N, Islas-Jácome A, González-Zamora E, Serrano-Espejel H, Mondragón-Rodríguez B, Leyva C, Solís-Casados DA, Ibarra IA, Peralta RA, Aguilar-Pliego J, Antonio de Los Reyes J.   +13 more
europepmc   +1 more source

Examining the utility of digital phenotyping for the prediction of intrusive experiences. [PDF]

Eur J Psychotraumatol
Meaney T, Yadav V, Galatzer-Levy I, Bryant R.   +3 more
europepmc   +1 more source

Simulación de reactividad química en hemoproteínas

, 2002
This thesis has two main goals: the development of computer simulationschemes to model environment effects in large systems and the application ofthese techniques to the investigation of chemical reactivity in heme proteins. Regarding the first goal, we have implemented a hybrid methodologycombining an electronic structure calculation with a classical ...
openaire   +2 more sources

From Molecular Spacers to Conjugated Polymers in 2D Perovskites. [PDF]

Acc Chem Res
Martínez-González BA, Pacheco H, Solis-Ibarra D.   +2 more
europepmc   +1 more source

[Acute Flacid Paralysis and Encephalitis: A Deadly Combination. Report of the Latest Case of Human Rabies in Colombia: A Reminder of a Preventable Enemy]. [PDF]

Rev Neurol
García Jimenez FA, Valencia-Rey PA, Tutalchá Oviedo K, Mejía López S, Arango Viana JC, Cuartas Ramírez JD.   +5 more
europepmc   +1 more source

Stress reactivity during short trauma narratives in adolescents with post-traumatic stress disorder (PTSD) and complex PTSD. [PDF]

Eur J Psychotraumatol
Kothgassner OD, Macura S, Goreis A, Klinger D, Pfeffer B, Oehlke SM, Prillinger K, Kafka JX, Zesch HE, Felnhofer A, Plener PL.   +10 more
europepmc   +1 more source

Comprehensive Structure-Activity Relationship Analysis of Benzamide Derivatives as Histone Deacetylase 1 (HDAC1) Inhibitors. [PDF]

Int J Mol Sci
Soto-Delgado J, Rodríguez-Núñez YA, Guerra C, Prent-Peñaloza L, Bacho M.   +4 more
europepmc   +1 more source

Síntese e reactividade de 2H - Azirinas

, 2007
O trabalho teve como objectivo primeiro, sintetizar 2H-azirinas com o grupo sulfinilo na posição 3. O precursor imediato dessas azirinas seria os α- azidovinilsulfóxido que após pirólise deveriam gerar as azirinas. O interesse de introduzir o grupo sulfóxido na posição 3 das azirinas tem a ver com o conhecimento de que um sistema remotor de electrões ...
openaire   +1 more source

Computational Model to Predict Reactivity under Ball-Milling Conditions. [PDF]

J Chem Theory Comput
De Armas R, Temprado M, Frutos LM.
europepmc   +1 more source