Results 221 to 230 of about 90,335 (298)

A new material constant of DNA is the major determinant of looping dynamics

Pobegalov G, Molodtsov MI, Khatri BS.
europepmc   +1 more source

Transferring Knowledge from MM to QM: A Graph Neural Network-Based Implicit Solvent Model for Small Organic Molecules. [PDF]

J Chem Theory Comput
Katzberger P, Pultar F, Riniker S.
europepmc   +1 more source

Tuning Exciton Dynamics and Energy Transfer in Ternary Organic Solar Cells Using Pyridine‐Flanked DPP Acceptors

Advanced Energy Materials, EarlyView.
Three novel non‐fullerene acceptors with a DPP–pyridine‐based structure have been studied, each incorporating different π‐bridging units. LM‐Se exhibited the highest efficiency among the NFAs, and its incorporation into a ternary blend with D18 and Y6 (PCE = 17.53%) significantly enhanced performance due to improved charge dynamics and favorable film ...
Leydi M. Moreno, Rocío Dominguez, Pilar de la Cruz, Hemraj Dahiya, Rahul Singhal, Ganesh. D. Sharma, Fernando Langa   +6 more
wiley   +1 more source

Enhanced configurational sampling methods reveal the importance of molecular stiffness for clustering of oxygenated organic molecules.

Phys Chem Chem Phys
Kähärä J, Franzon L, Ingram S, Myllys N, Kurtén T, Vehkamäki H.   +5 more
europepmc   +1 more source

Insights from the Absorption Coefficient for the Development of Polarizable (Multipole) Force Fields. [PDF]

Molecules
Sappl M, Szabadi A, Honegger P, König F, Steinhauser O, Schröder C.   +5 more
europepmc   +1 more source

Advanced Synthesis and Fabrication Strategies for 2D Mesoporous Carbon Materials in Energy Storage and Conversion

Advanced Energy and Sustainability Research, EarlyView.
The rising demand for efficient energy systems has spotlighted 2D mesoporous carbon materials due to their high surface area, tunable porosity, and electrical conductivity. This article explores synthesis methods (template‐assisted, chemical vapor deposition), fabrication techniques (electrospinning, freeze‐drying), and applications in batteries ...
Pariksha Bishnoi, Samarjeet Singh Siwal, Nirankar Singh, Manju Kumari Thakur, Phil Hart, Vijay Kumar Thakur   +5 more
wiley   +1 more source

A Method for the Precise Determination of the Intramolecular Potential Energy Surface on the Basis of Microwave and Submillimeter-Wave Spectra: Diatomic Molecules as a Relevant Illustration. [PDF]

Int J Mol Sci
Ulenikov O, Bekhtereva E, Gromova O, Sidko S, Bauerecker S.   +4 more
europepmc   +1 more source

Lignin as a Renewable Precursor for Carbon Quantum Dots: Synthesis, Doping Strategies, and Applications

Advanced Energy and Sustainability Research, EarlyView.
Lignin‐derived carbon quantum dots are produced via hydrothermal doping with ethylenediamine, enhancing fluorescence, quantum yield, and tunable photoluminescence for diverse applications. These biocompatible nanomaterials enable safe use in bioimaging, sensing, and monitoring, offering optical stability under various conditions. Valorizing lignin from
Rosinaldo Rabelo Aparício, Fabricio Augusto Hansel, Tawani Lorena Naide Acosta, Marco Antônio Schiavon, Graciela Ines Bolzon de Muniz, Washington Luiz Esteves Magalhães, Pedro Henrique Gonzalez de Cademartori   +6 more
wiley   +1 more source

Chemical Activation of a Single Melamine Molecule via Isomerization Followed by Metalation with a Copper Atom. [PDF]

ACS Nano
Rothe K, Alkorta M, Néel N, Frederiksen T, Kröger J.   +4 more
europepmc   +1 more source

Germanium‐Based Long‐Conjugation Xanthene Fluorophores for Bioimaging in Optimal NIR‐II Sub‐Window

Aggregate, EarlyView.
An NIR‐II dye (EGe5) integrates germanium‐enhanced vibrational suppression and extended conjugation, achieving unprecedented brightness in the optimal NIR‐IIx sub‐window. This design enables high‐contrast visualization of intestinal vasculature and renal labeling, overcoming traditional signal limitations. The tailored spectral properties highlight its
Jin Li, Qiming Xia, Jiayi Li, Xiaoming Yu, Zhe Feng, Yuhuang Zhang, Tianxiang Wu, Zhongmin Xu, Hui Lin, Jun Qian   +9 more
wiley   +1 more source