Results 171 to 180 of about 115,739 (285)

Supramolecular Host‐Guest Complexation Dynamics by Cost‐Efficient Electronic Structure Methods

Chemistry – A European Journal, EarlyView.
We present a cost‐effective multilevel workflow for the kinetic profiling of host–guest systems, illustrated with cucurbit[6]uril and alkylammonium cations. The method combines rapid docking and reaction path searches at the semi‐empirical level, with refinement of the results using modern density functional theory, accurately reproducing experiment ...
Thomas Gasevic, Christoph Plett, Lukas Wittmann, Iago Neira, Carlos Peinador, Marcos D. García, Andreas Hansen   +6 more
wiley   +1 more source

Southern Chilean Native Plants as Novel Sources of Antioxidant and Antibacterial Extracts. [PDF]

Antioxidants (Basel)
Hernández J, Fuentes Y, Muñoz-Carvajal E, Faúndez M, Gómez M, Giordano A, Montenegro G.   +6 more
europepmc   +1 more source

Programming the Optoelectronic Properties of Atomically Precise Gold Nanoclusters Using the Conformational Landscape of Intrinsically Disordered Proteins

Chemistry – A European Journal, EarlyView.
ABSTRACT The rational design of hybrid nanomaterials with precisely controlled properties remains a central challenge in materials science. While atomically precise gold nanoclusters (Au‐NCs) offer molecule‐like control over a metallic core, tuning their optoelectronic behavior via surface engineering is often empirically driven.
Santiago Rodriguez, Sylvain Kumanski, Zeineb Ayed, Aurélie Fournet, Charlène Bouanchaud, Amin Sagar, Frédéric Allemand, Vladimir A. Baulin, Ute Resch‐Genger, Juan Cortés, Nathalie Sibille, Fabien Chirot, Karl David Wegner, Rodolphe Antoine, Xavier Le Guével, Pau Bernadó   +15 more
wiley   +1 more source

6 H Hydrothermal Synthesis of W-Doped VO₂(M) for Smart Windows in Tropical Climates. [PDF]

Materials (Basel)
Murillo-Quirós N, Alvarado-Hidalgo F, Starbird-Perez R, Castellón E, Hernández-Montero N, Ramírez HB, Sáenz-Arce G, Dittel-Meza FA, Avendaño Soto E.   +8 more
europepmc   +1 more source

Self‐assembly and Lateral Cobalt Coordination of a Fivefold Symmetric Cyanostar Macrocycle on an Au(111) Surface

Chemistry – A European Journal, EarlyView.
Herein, we report the first example of the formation of a close‐packed, regular 2D monolayer of a fivefold symmetric cyanostar macrocycle on an Au(111) surface under ultra‐high vacuum and the structural modification of such self‐assembled architecture upon cobalt atom deposition.
Lenka Černá, Miguel Martínez García, Shanmugasibi K. Mathialagan, Sofía O. Parreiras, Koen Lauwaet, José Ignacio Urgel, Aurelio Gallardo, Amar H. Flood, Tomás Torres, José M. Gallego, Giovanni Bottari, David Écija   +11 more
wiley   +1 more source

Induced‐Fit Recognition by a Calixarene–Pyrene Conjugate for Single‐ and Dual‐Wavelength Fluorescence Sensing in Water

Chemistry – A European Journal, EarlyView.
A sulfonatocalix[4]arene–pyrene conjugate functions as a fluorescence chemosensor for the optical detection of biorelevant analytes in water. Its photoinduced electron transfer (PET) response is triggered by an induced‐fit recognition mechanism. Noncovalent assembly with an additional dye affords dual‐color ratiometric signaling via competitive PET ...
Joana N. Martins, Márcia Pessêgo, Luis Garcia‐Rio, João Carlos Lima, Nuno Basílio   +4 more
wiley   +1 more source

Ciclo de conferencias realizadas en la Sección Química

Revista de Química, 2009
Revista de Química Revista de Química
doaj  

Determination of the Preferred Stereoisomer of Natural Product Bisabolol in Chloroform Solution through Quantum Chemical Calculations of ¹H NMR Chemical Shifts. [PDF]

ACS Omega
Da Silva HC, Martorano LH, Dos Santos FM, De Almeida WB.   +3 more
europepmc   +1 more source

Synthesis and characterization of amphiphilic nitroxide 1,1,3,3–tetraethylisoindoline–2–oxyl–5–sodium sulfonate (TEIOSNa)

The Canadian Journal of Chemical Engineering, EarlyView.
Abstract The synthesis and characterization of an amphiphilic nitroxide to be used as a controlling agent in a nitroxide‐mediated living radical polymerization in aqueous dispersion media is presented. In the first stage of nitroxide synthesis (phthalimide protection), two reaction methods were employed: traditional and microwave.
Enrique García‐Leal, Martha Eugenia Albores Velasco, René O. Vargas, Rubén Mil‐Martínez   +3 more
wiley   +1 more source

Fe de erratas, Revista de Química Vol. XII, junio 1998, p. 76.

Revista de Química, 1998
Revista de Química Revista de Química
doaj