Results 81 to 90 of about 2,313,045 (347)
MoleculesDeveloping red fluorescence emitters with simple structures via convenient synthetic routes is highly desirable yet challenging. Herein, two novel donor–acceptor-type red emitters, DCFOPV-TPA and SCFOPV-TPA, featuring the intramolecular charge transfer ...
Xinju Zhu +10 more
doaj +1 more source
Applied Sciences, 2018 Dyes D35 and XY1 for solar cells have been investigated theoretically with the quantum chemistry method and visualized 3D cube representation. Some important information (such as absorption spectra, molecular orbitals, reorganization energy, chemical ...
Qian Liu +6 more
doaj +1 more source
Journal of the American Chemical Society, 2020 Creating molecular networks with different topologies using identical molecular linkers is fundamentally important, but requires a precise chemistry control.
Yongwu Peng +11 more
semanticscholar +1 more source
Impact of Molecular Architecture and Adsorption Density on Adhesion of Mussel-Inspired Surface Primers with Catechol-Cation Synergy. [PDF]
, 2019 Marine mussels secrete proteins rich in residues containing catechols and cationic amines that displace hydration layers and adhere to charged surfaces under water via a cooperative binding effect known as catechol-cation synergy.
Andresen Eguiluz, Roberto C +7 more
core
Molecular Structure and Modeling of Water-Air and Ice-Air Interfaces Monitored by Sum-Frequency Generation. [PDF]
, 2020 From a glass of water to glaciers in Antarctica, water-air and ice-air interfaces are abundant on Earth. Molecular-level structure and dynamics at these interfaces are key for understanding many chemical/physical/atmospheric processes including the ...
Backus, Ellen HG +8 more
core +3 more sources
Transducer Materials Mediated Deep Brain Stimulation in Neurological Disorders
Advanced Functional Materials, EarlyView.This review discusses advanced transducer materials for improving deep brain stimulation (DBS) in neurological disorders. These materials respond to light, ultrasound, or magnetic fields, enabling precise, less invasive neuromodulation. Their stimulus‐responsive properties enhance neural control and adaptive therapy, paving the way for next‐generation ...
Di Zhao +5 more
wiley +1 more source
Linear response of a grafted semiflexible polymer to a uniform force field [PDF]
, 2004 We use the worm-like chain model to analytically calculate the linear response of a grafted semiflexible polymer to a uniform force field. The result is a function of the bending stiffness, the temperature, the total contour length, and the orientation ...
Erwin Frey +5 more
core +1 more source
Advanced Functional Materials, EarlyView.This work develops an ultrarobust, flexible, and solvent‐free eutectic gel featuring stretch‐induced orientation. Overcoming hydrogel limitations, the gel achieves record toughness (133.86 MJ m−3) while integrating strain/temperature/capacitive sensing.
Tingzhong Li +5 more
wiley +1 more source
A Computational Workflow to Predict Biological Target Mutations: The Spike Glycoprotein Case Study
Molecules, 2023 The biological target identification process, a pivotal phase in the drug discovery workflow, becomes particularly challenging when mutations affect proteins’ mechanisms of action.
Pietro Cozzini +3 more
doaj +1 more source
Configurational temperature control for atomic and molecular systems [PDF]
, 1994 A new configurational temperature thermostat suitable for molecules with holonomic constraints is derived. This thermostat has a simple set of motion equations, can generate the canonical ensemble in both position and momentum space, acts homogeneously ...
Braga, C., Travis, K.P.
core +3 more sources