Results 171 to 180 of about 147,809 (300)
Advanced Science, EarlyView.Regioisomeric effects are a critical design parameter in self‐assembled monolyaer (SAM) engineering, underscoring their importance for optimizing buried interface properties and advancing the performance and stability of inverted perovskite solar cells.
Myeong‐Ho Hong +5 more
wiley +1 more source
The Effect of Intramolecular Hydrogen Bond Type on the Gas-Phase Deprotonation of ortho-Substituted Benzenesulfonic Acids. A Density Functional Theory Study. [PDF]
Molecules, 2020 Giricheva NI +4 more
europepmc +1 more source
High‐Conductivity Electrolytes Screened Using Fragment‐ and Composition‐Aware Deep Learning
Advanced Science, EarlyView.We present a new deep learning framework that hierarchically links molecular and functional unit attributions to predict electrolyte conductivity. By integrating molecular composition, ratios, and physicochemical descriptors, it achieves accurate, interpretable predictions and large‐scale virtual screening, offering chemically meaningful insights for ...
Xiangwen Wang +6 more
wiley +1 more source
A naringenin-based benzoxazine with an intramolecular hydrogen bond as both a thermal latent polymerization additive and property modifier for epoxy resins. [PDF]
RSC Adv, 2020 Hao B, Yang R, Zhang K.
europepmc +1 more source
Advanced Science, EarlyView.A series of through‐space coupled donor‐acceptor (D–A) molecules is sandwiched between two electrodes to determine their single‐molecule conductance. As the D–A interaction weakens, single‐molecule conductance reduces while Flicker Noise PSD n‐value increases (coupling strength decreases).
Xin Wang +10 more
wiley +1 more source
Advanced Science, EarlyView.The CuNiPc/BiVO4 heterojunction is designed and synthesized for selective CO2 photoreduction. The cascade interfacial Z‐scheme charge transfer and the intramolecular synergy of Cu–Ni dual sites on CO2 activation and H spillover contribute to the high photocatalytic performance and selectivity. ABSTRACT Solar‐driven CO2 conversion holds great promise in
Ye Liu +10 more
wiley +1 more source
Effects of intramolecular hydrogen bonding on the rates of complex formation of cobalt(2+) and zinc(2+) with substituted salicylic acids. [PDF]
, 1989 Diebler, H., Secco, F., Venturini, M.
core +2 more sources
Intramolecular hydrogen bonds (IMHBs) are fundamental non-covalent interactions that profoundly influence molecular structure and reactivity. They affect the physico-chemical properties, molecular geometry, shape, and conformation of systems ranging from small molecules to nucleic acids and proteins, from catalysts to materials.
openaire +2 more sources
Advanced Science, EarlyView.Thanks to the appropriate structure preorganization of an N3O2‐pentadentate planar ligand, 2,6‐bis(2‐hydroxyphenylmethylaminomethyl)pyridine (H2saldamp) exhibits the strongest coordination affinity to UO22+ (log βU = 33.60) compared to ligands developed for uranium harvesting from seawater to date, as well as good separability of UO22+ from other metal
Ryuto Nabata +2 more
wiley +1 more source
Advanced Science, EarlyView.An anisotropic dual S‐scheme heterojunction (C3N4/SubPc‐1/C3N5) is constructed to overcome the electron–proton kinetics mismatch in photocatalytic H2O2 production. The imide bridge serves as a dual channel for ultrafast electron transfer and proton relay, synergistically enabling efficient dual‐pathway oxygen reduction and achieving a high H2O2 ...
Bing Wang +7 more
wiley +1 more source