Results 71 to 80 of about 2,444,704 (306)
Density Functional Study of a Helical Organic Cation
CHIMIA, 2003 We report on the first stage of our theoretical study of the quino[2,3,4-kl]acridinium,1,13-dimethoxy-5,9-dipropyl-cation. This molecule, involved in the synthesis of novel triazaangulenium dyes of high chemical stability, is a chiral [4 ...
Delphine Bas +3 more
doaj +1 more source
Advanced Functional Materials, EarlyView.ABSTRACT Chitosan, a polysaccharide upcycled from biowaste, has long promised sustainable, biocompatible, and antimicrobial films and devices, an appeal reinforced by its recent regulatory recognition, with several chitosan‐based antibacterial dressings gaining clearance through the Food and Drug Administration's 510(k) pathway.
Jacopo Nicoletti +16 more
wiley +1 more source
ir overtone spectrum of the vibrational soliton in crystalline acetanilide [PDF]
Physical Review B, 1985 The self-trapping (soliton) theory which was recently developed to account for the anomalous amide-I band at 1650 cm/sup -1/ in crystalline acetanilide (a model system for protein) has been extended to predict the anharmonicity constant of the overtone spectrum. These infrared-active overtones which have been detected at 3250, 4803, and 6304 cm/sup -1/
Scott, AC +3 more
openaire +4 more sources
Advanced Functional Materials, EarlyView.P4bm framework in NaNbO3‐Ba(Ti, Hf)O3 ferrodistortive relaxor entails short‐range and highly‐polar ferrodistortive orders. The abundant highly‐polar orders facilitate to increase entropy change, and robust octahedral oxygen tilt enables to impede thermal perturbations.
Feng Li +11 more
wiley +1 more source
Prasmės patirtis ir raštas [PDF]
, 2008 This article analyses the relationship of the experience of meaning with writing. Is the intuition of meaning or the recording of it more important in scientific discovery and tradition?
Jonkus, Dalius
core +1 more source
Mass spectrum of gapped, non-confining theories with multi-scale dynamics
Journal of High Energy Physics, 2019 We study the mass spectrum of spin-0 and spin-2 composite states in a one-parameter family of three-dimensional field theories by making use of their dual descriptions in terms of supergravity.
Daniel Elander +4 more
doaj +1 more source
X‐Functionality–Driven Photocatalytic Hydrogen Evolution in 2D 4‐X‐PEA2SnI4 Perovskites
Advanced Functional Materials, EarlyView.We report a water‐based synthesis of 2D 4‐X‐PEA2SnI4 perovskite microcrystals with prominent photocatalytic (PC) activity for H2 production. The synergy between organic functionalization and HI‐derived iodide scavenges holes suppress octahedral distortion, and favor electron accumulation, enabling a PC H2 evolution ∼20 µmol·g−1 and long‐term stability ...
Taeyeon Kim +21 more
wiley +1 more source
C-PCM study of solvent influence on the ground and excited state structures of borazanaphthalene
Results in ChemistryIn this research, the borazanaphthalene molecule is optimized at the ground state (S0), first singlet (S1), and triplet (T1) excited states using the M062X/6-311G(d,p) level of theory. The excited states were determined by the time-dependent DFT (TD-DFT)
Reza Ghiasi, Mohammad Nikbakht
doaj +1 more source
Advanced Functional Materials, EarlyView.Significant nanoscale oxygen diffusion coefficient variations are measured in ferroelectric hafnium zirconium oxide films with grain boundaries and electrode interfaces exhibiting values 104 times larger than the grain cores. Overall coefficients are 10X larger for films prepared with metal nitride electrodes compared to refractory metals. New insights
Liron Shvilberg +6 more
wiley +1 more source