Results 121 to 130 of about 663,798 (288)
Advanced Functional Materials, EarlyView.A novel phthalocyanine (PC)‐based metal–organic framework (MOFs) is synthesized using ditopic PC linkers obtained through regioselective statistical condensation. The resulting MOF exhibits significant improvements in electronic absorption, thereby enhancing the material's performance in light harvesting and energy conversion.
Lukas S. Langer +12 more
wiley +1 more source
Computational Chemistry for the Identification of Lead Compounds for Radiotracer Development. [PDF]
Pharmaceuticals (Basel), 2023 Hsieh CJ +3 more
europepmc +1 more source
Advanced Functional Materials, EarlyView.This work discusses the use of blended channel materials in OECTs. It explores how mixing glycolated and alkoxylated polymers in various ratios offers a simpler and more efficient route to tuning OECT properties. The performance of the polymer blends is compared to the corresponding copolymers, demonstrating similar OECT characteristics, swelling ...
Lize Bynens +14 more
wiley +1 more source
Recent updates in click and computational chemistry for drug discovery and development. [PDF]
Front Chem, 2023 Cai JH +6 more
europepmc +1 more source
Computerized reduction of elementary reaction sets for CFD combustion modeling [PDF]
Modeling of chemistry in Computational Fluid Dynamics can be the most time-consuming aspect of many applications. If the entire set of elementary reactions is to be solved, a set of stiff ordinary differential equations must be integrated.
Wikstrom, Carl V.
core +1 more source
Advanced Functional Materials, EarlyView.This study uncovers the unexplored role of intermolecular interactions in multiphoton absorption in coordination polymers. By analyzing [Zn2tpda(DMA)2(DMF)0.3], it shows how the electronic coupling of the chromophores and confinement in the MOF enhance two‐and three‐photon absorption.
Simon Nicolas Deger +11 more
wiley +1 more source
Best-Practice DFT Protocols for Basic Molecular Computational Chemistry. [PDF]
Angew Chem Int Ed Engl, 2022 Bursch M, Mewes JM, Hansen A, Grimme S.
europepmc +1 more source
Free Share: The Power of Predictive Science... The Story of Ivermectin. Learn More at Computational Chemistry in Cancer Research [PDF]
, 2015 Amy J Austin
openalex +1 more source
Advanced Functional Materials, EarlyView.This work explores Li‐substituted P2 layered oxides for Na‐ion batteries by crystallographic and electrochemical studies. The effect of lithium on superstructure orderings, on phase transitions during synthesis and electrochemical cycling and on the interplay of O‐ versus TM‐redox is revealed via various advanced techniques, including semi‐simultaneous
Mingfeng Xu +5 more
wiley +1 more source