Results 61 to 70 of about 1,460 (136)

Selective O₂/N₂ Separation Using Grazyne Membranes: A Computational Approach Combining Density Functional Theory and Molecular Dynamics

Nanomaterials
The separation of oxygen (O2) and nitrogen (N2) from air is a process of utmost importance nowadays, as both species are vital for numerous fundamental processes essential for our development.
Adrià Calzada, Francesc Viñes, Pablo Gamallo   +2 more
doaj   +1 more source

Jogo computacional 3D em primeira pessoa: uma possibilidade para o ensino de química

Revista Brasileira de Ensino de Ciência e Tecnologia, 2019
Nas últimas duas décadas, a utilização dos computadores tem se intensificado no ambiente escolar. A tecnologia envolvida no ambiente computacional tornou-se indissociável do cotidiano dos estudantes, de forma o lúdico ganhou importância e os jogos ...
Haroldo Luis Ribas, Fabiana Roberta Gonçalves e Silva Hussein, Carlos Alberto Marques   +2 more
doaj   +1 more source

Moving from Classical Ru-NHC to Neutral or Charged Rh-NHC Based Catalysts in Olefin Metathesis

Molecules, 2016
Considering the versatility of oxidation states of rhodium together with the successful background of ruthenium-N-heterocyclic carbene based catalysts in olefin metathesis, it is envisaged the exchange of the ruthenium of the latter catalysts by rhodium,
Albert Poater
doaj   +1 more source

Multi-addition on nano-encapsulated fullerene derivatives bearing one functional group: Impact of the initial moiety

Next Materials
Fullerene multi-adducts have drawn significant research interest due to their remarkable properties, which often surpass those of mono-adducts across various applications.
Anna Pantelia, Tània Pèlachs, Clara Sabrià, Carles Fuertes-Espinosa, Leandros P. Zorba, Georgios Rotas, Ferran Feixas, Xavi Ribas, Georgios C. Vougioukalakis   +8 more
doaj   +1 more source

Versatile deprotonated NHC: C,N-bridged dinuclear iridium and rhodium complexes

Beilstein Journal of Organic Chemistry, 2016
Bearing the versatility of N-heterocyclic carbene (NHC) ligands, here density functional theory (DFT) calculations unravel the capacity of coordination of a deprotonated NHC ligand (pNHC) to generate a doubly C2,N3-bridged dinuclear complex.
Albert Poater
doaj   +1 more source

Bridging heterogeneous and homogeneous catalysis in carbon dioxide valorization

npj Materials Sustainability
The valorization of carbon dioxide (CO2) into fuels and chemicals represents both a scientific challenge and an opportunity for sustainable energy transition.
Sergio Posada-Pérez, Anna Vidal-López, Aleix Comas-Vives, Albert Poater   +3 more
doaj   +1 more source

Data from the release kinetics of curcumin and piperine from native and modified cassava starch nanoparticles into simulated gastric media. [PDF]

Data Brief
Rosero-Posso WA, Murillo JAA, Villa CC.
europepmc   +1 more source

Supramolecular purification of mono-adamantane mixtures <i>via</i> stabilized three-shell Matryoshka assemblies. [PDF]

Chem Sci
Sabrià C, Pèlachs T, Imaz I, Maspoch D, Feixas F, Ribas X.   +5 more
europepmc   +1 more source

Skeletal Rearrangement of Biaryls via Rhodium-Azirine Intermediate: A Route to Solid-State Emissive Polycyclic Sulfamates. [PDF]

ACS Catal
Insa-Carreras N, Díaz-Jiménez À, Pinto A, Rodríguez L, Poater A, Roglans A, Pla-Quintana A.   +6 more
europepmc   +1 more source

Characterization of a Silver Vinylcarbene Intermediate in Carbene-Alkyne Metathesis and Its Concerted C(sp²)-H Bond Insertion. [PDF]

J Am Chem Soc
Díaz-Jiménez À, Monreal-Corona R, Saha A, Álvarez-Núñez A, Company A, Parella T, Pérez PJ, Caballero A, Roglans A, Poater A, Pla-Quintana A.   +10 more
europepmc   +1 more source