Results 91 to 100 of about 68,979 (246)
IUCrData, 2016 The title molecule, C23H20N6OS, adopts a cup-shaped conformation with the planes of the two benzene rings and the benzotriazole unit close to being parallel. The crystal packing features C—H...π(ring) and offset π–π stacking interactions.
Shaaban K. Mohamed +4 more
doaj +1 more source
Self-Recognizing π-π Stacking Interactions Designed for the Generation of Ultrastable Mesoporous Hydrogen-Bonded Organic Frameworks [PDF]
, 2019 Creating crystalline porous materials with large pores is typically challenging due to undesired interpen-etration, staggered stacking, or weakened framework stability.
Xuan, Zhang +13 more
core +1 more source
Advanced Functional Materials, EarlyView.Solution‐processed Cu(bdc) forms prototypical MOF thin films for which a multitude of not fully satisfactory structural models have been suggested. Combining rotating grazing‐incidence diffraction and X‐ray reflectivity on two complementary samples with density‐functional theory, we first discard the previously suggested models and then identify a non ...
Narges Taghizade +7 more
wiley +1 more source
A Comparative Theoretical Study of Picric Acid and Its Cocrystals
Crystals, 2015 A novel cocrystal of picric acid/acetophenone was prepared by solvent evaporation method and the crystal structure was characterized by single crystal X-ray diffraction. Analysis of the crystal structure shows that the hydrogen bonding, van der Waals and
Peng-Yuan Chen +3 more
doaj +1 more source
Sky-blue emitting bridged diiridium complexes: beneficial effects of intramolecular π–π stacking [PDF]
, 2018 Intramolecular π–π stacking has been applied as an innovative tool in the development of highly emissive sky-blue diiridium complexes.
Daniel G. Congrave +9 more
core +2 more sources
Advanced Functional Materials, EarlyView.Solvent vapor annealing enables kinetic control of additive‐free morphology in organic solar cells. Selective plasticization of acceptor forms an optimal fibrillar network, boosting efficiency to 19.06% (binary) and 19.75% (ternary), with ultrafast exciton dissociation and reduced recombination.
Jie Lv +20 more
wiley +1 more source
Cation−Cation π−π Stacking in Small Ionic Clusters of 1,2,4-Triazolium [PDF]
, 2008 The existence of cation−cation π−π stacking in the 1,2,4-triazolium−dinitramide tetramer and 1,2,4-triazolium−chloride tetramer (two cations and two anions) is predicted based on the structures optimized using second-order perturbation theory (MP2).
Gordon, Mark, Li, Hui, Boatz, Jerry
core +1 more source
Applications of Computational Protein Design [PDF]
, 2006 Computational protein design determines the amino acid sequence(s) that will adopt a desired fold. It allows the sampling of a large sequence space in a short amount of time compared to experimental methods.
Mao, Jessica
core +1 more source
Advanced Functional Materials, EarlyView.Co‐delivery of electrosprayed EDOT and oxidant enables bulk oxidative polymerization during layer‐by‐layer fabrication, creating stable, highly conductive 3D PEDOT structures. This Atomized Oxidative Polymerization (AOP) overcomes the surface deposition‐only and matrix‐limited conductivity of conventional Vapor Phase Polymerization (VPP) and PEDOT:PSS ...
Tazdik Patwary Plateau +2 more
wiley +1 more source
Correlating π–π Stacking of Aromatic Diammoniums with Stability and Dimensional Reduction of Dion–Jacobson 2D Perovskites [PDF]
Dion–Jacobson (DJ) phase 2D perovskites with various aromatic diammonium cations, potentially possessing high stability, have been developed for optoelectronics.
Junxue Guo (4637902) +4 more
core +3 more sources