Results 101 to 110 of about 13,921 (178)
ChemPlusChem, Accepted Article.In this work, we propose crystallization mechanisms for halogenated benzyl alcohols, based on theoretical energetic and topological data of intermolecular and supramolecular interactions. All interactions were verified and energetically classified by density functional theory (DFT) and their contribution at each contact point was analyzed using QTAIM ...
Patrick Teixeira Campos +3 more
wiley +1 more source
ChemPlusChem, Accepted Article.A novel approach combining the advantages of heterogeneous with those of homogeneous catalysis is the deposition of metal‐organic complexes on a metallic surface to create well‐defined single‐site catalysts. Dome‐shaped organometallic complexes with weakly binding coligands are well suited for this purpose.
Felix Tuczek +4 more
wiley +1 more source
Topological Characterization of Metal-Organic Frameworks: A Perspective. [PDF]
Chem MaterGlasby LT +3 more
europepmc +1 more source
Elementary vectors and autocatalytic sets for resource allocation in next-generation models of cellular growth. [PDF]
PLoS Comput Biol, 2022 Müller S, Széliová D, Zanghellini J.
europepmc +1 more source
ChemSusChem, EarlyView.The present review explores the recent advancements of NiCo2S4/graphene nanocomposite as a promising active material for supercapacitors. Machine learning models are demonstrated to analyze the specific capacitance variation with respect to different synthesis parameters, morphology, energy density, and power density.
Heena S. Mulla +6 more
wiley +1 more source
Application of Voronoi Polyhedra for Analysis of Electronic Dimensionality in Emissive Halide Materials. [PDF]
J Am Chem SocNovikov SA +3 more
europepmc +1 more source
Mechanochemical Activation of NaHCO3: A Solid CO2 Surrogate in Carboxylation Reactions
ChemSusChem, EarlyView.This study presents sodium bicarbonate (NaHCO3) as a safe, solid source of CO2 for mechanochemical carboxylation reactions. Mechanochemical methods for synthesizing cyclic carbamates and organic carbonates from NaHCO3 are developed. This approach holds significant potential for pharmaceutical applications, highlighting solvent‐minimized synthesis and ...
Francesco Mele +11 more
wiley +1 more source
Ordered zinc electrodeposition from single-crystal units to polycrystalline stacking within solid-electrolyte interphase in battery anodes. [PDF]
Nat CommunZhao M, Lv Y, Xu Y, Yang H, Bo Z, Lu J.
europepmc +1 more source
Tri‐axial compressive behavior of high‐water material for deep underground spaces
Deep Underground Science and Engineering, EarlyView.The relationship between the mechanical behavior and microstructures of the laterally confined high‐water material associated with water bleeding was established. Abstract Attributed to its superior water‐to‐solid ratio and quick setting time, the high‐water material is widely adopted in underground spaces as a cost‐effective and environmentally ...
Honglin Liu +5 more
wiley +1 more source
Steam-Assisted Ammonolysis of MoO<sub>2</sub> as a Synthetic Pathway to Oxygenated δ-MoN. [PDF]
Materials (Basel)Pandey S +9 more
europepmc +1 more source