Results 191 to 200 of about 8,649 (251)

Mechanistic Analysis of Large Atomic Models of Molten Salt. [PDF]

Adv Sci (Weinh)
Guo Y, Sun X, Xi X, Nie Z.
europepmc   +1 more source

Large‐Scale Determination of Frontier Orbital Energies of Disordered Small‐Molecule Organic Semiconductors Using Exciplex Emission Spectra

Advanced Materials, EarlyView.
ABSTRACT Accurately knowing the frontier orbital energies of the structurally disordered small‐molecule organic semiconductors that are used in optoelectronic devices such as organic light‐emitting diodes is required to rationally improve their performance. Here, we show that these energies can be deduced with a large accuracy from the peak energies of
Christian B. McDonald, Hiroki Tomita, Giacomo Cotelli, Louka L. Brüll, Nanno G. de Rooij, Lucas R.L. Norg, Milo Clément, Reinder Coehoorn   +7 more
wiley   +1 more source

DPPH Measurement for Phenols and Prediction of Antioxidant Activity of Phenolic Compounds in Food. [PDF]

Curr Issues Mol Biol
Kato R, Tada C, Yamauchi M, Matsumoto Y, Gotoh H.   +4 more
europepmc   +1 more source

Phase Engineering of Nanomaterials (PEN): Evolution, Current Challenges, and Future Opportunities

Advanced Materials, EarlyView.
This review summarizes the synthesis, phase transition, advanced characterization spanning ex situ to in situ and operando techniques, and diverse applications of phase engineering of nanomaterials (PEN). It further outlines key challenges and future opportunities, such as phase stability, architecture control, and artificial intelligence (AI)‐driven ...
Ye Chen, Zhanxi Fan, Jingjie Ge, Qiyuan He, Zhuangchai Lai, Jiawei Liu, Chaoliang Tan, Hua Zhang   +7 more
wiley   +1 more source

QSAR machine learning-guided discovery of renieramycin right-half derivatives with cytotoxic activity against NSCLC cells. [PDF]

Sci Rep
Putra ID, Maitarad P, Yokoya M, Ei ZZ, Hotta D, Shi L, Rungrotmongkol T, Chanvorachote P.   +7 more
europepmc   +1 more source

Nanomaterial Integration at Liquid–Liquid Interfaces for Green Catalysis

Advanced Materials, EarlyView.
Functional nanomaterials assembled at liquid–liquid interfaces create dual‐role platforms serving as emulsion stabilizers and catalytic sites, offering enhanced reaction kinetics with improved catalyst recovery and recyclability. This review examines design strategies, structure‐performance relationships, and industrial implementation prospects of ...
Bokgi Seo, Jaewon Shin, Minkyoung Jang, Kyoungho Choi, Tengfei Pang, Fangrui Zhong, Jin Woong Kim   +6 more
wiley   +1 more source

Molecular Descriptor of Electronic Transition for Regulating Polarity-Responsive Behavior of Heterocycle-Containing Probes. [PDF]

JACS Au
Zeng Y, Wang F, Duan D, Xu Y, Luo X, Zhao J, Jacquemin D, Wang D, Zheng X.   +8 more
europepmc   +1 more source

In Situ Regenerative Adduct Assisted p‐Type Doping of Organic Semiconductor

Advanced Materials, EarlyView.
An in situ regenerative adduct‐assisted (IRAA) doping strategy is introduced for p‐type doping of organic semiconductors. A regenerating adduct serves as the dopant, enabling highly efficient doping with a choice of counterions. The generality of this approach provides a scalable route to dope a wide range of hole‐transport materials with high thermal ...
Brijesh K. Patel, Arya Vidhan, Shubham Gupta, Vaishali Arunachalam, Simantini Nayak, Neeraj Bhatt, Ravi Shankar Singh, Shaibal K. Sarkar, Pabitra K. Nayak   +8 more
wiley   +1 more source

A Universal Quantum Descriptor for Electron Correlation in Molecular Systems: The Fbond Framework

openaire   +1 more source

Multiscale Computational Enzymology of CYP450 Biotransformation of Organic Halogenated Pollutants: Methods and Environmental Perspectives. [PDF]

ACS Omega
Zhao M, Shen X, Wu J, Gao W.
europepmc   +1 more source