Results 41 to 50 of about 62,059 (262)

The arene–alkene photocycloaddition

Beilstein Journal of Organic Chemistry, 2011
In the presence of an alkene, three different modes of photocycloaddition with benzene derivatives can occur; the [2 + 2] or ortho, the [3 + 2] or meta, and the [4 + 2] or para photocycloaddition. This short review aims to demonstrate the synthetic power
Ursula Streit, Christian G. Bochet
doaj   +1 more source

Synthesis, Identification and Biological Activity of New Heterocyclic Compounds from Reaction of New Schiff-Bases with Phathalic Anhydride

Science Journal of University of Zakho, 2020
Series of new Schiff bases and their derivatives (Oxazepine) have been synthesized during two steps. The first step synthesis of imines derivatives (1-10) by the condensation reaction of 1, 7-diaminohepatane and 1,8-diaminooctane with different ...
Alya A. Dawood, Shireen R. Mmohammed, Mohammed Mahmoud   +2 more
doaj   +1 more source

Self‐Assembled Monolayers in p–i–n Perovskite Solar Cells: Molecular Design, Interfacial Engineering, and Machine Learning–Accelerated Material Discovery

Advanced Materials, EarlyView.
This review highlights the role of self‐assembled monolayers (SAMs) in perovskite solar cells, covering molecular engineering, multifunctional interface regulation, machine learning (ML) accelerated discovery, advanced device architectures, and pathways toward scalable fabrication and commercialization for high‐efficiency and stable single‐junction and
Asmat Ullah, Ying Luo, Stefaan De Wolf
wiley   +1 more source

DFT-based Study of Electric Field Effect on the Polarizability of DFT-based Study of Electric Field Effect on the Polarizability of Three Ringed Nematic Liquid Crystal Molecules Three Ringed Nematic Liquid Crystal Molecules

Makara Journal of Science, 2020
Owing to its successful application to complex molecular systems, computational density functional theory (DFT) has been used to study the effect of an electric field on the molecular polarizability and HOMO–LUMO gap of 1-phenyl-4-{2 ...
Pranav Upadhyay , Mirtunjai Mishra , Ankur Trivedi , Jitendra Kumar , Asheesh Kumar   +4 more
doaj   +1 more source

Transparent Perovskite Light‐Emitting Diodes with Conductive Oxide Top Electrodes

Advanced Materials, EarlyView.
Transparent perovskite light‐emitting diodes (TrPeLEDs) enable simultaneous display and transparency, expanding application possibilities. Using a metal oxide buffer layer and pulsed laser deposition, TrPeLEDs with diverse compositions and architectures are demonstrated.
Michele Forzatti, Sergio Martínez‐Saiz, Morena Cervino, Edoardo Stanzani, Sandra Jenatsch, Qingsen Zeng, Joo Sung Kim, Dong‐Hyeok Kim, Eojin Yoon, Tae‐Woo Lee, Daniel Tordera, Henk J. Bolink   +11 more
wiley   +1 more source

ENTROPY PREDICTION OF BENZENE DERIVATIVES USING TOPOLOGICAL INDICES

Studia Universitatis Babes-Bolyai Chemia, 2017
In this study, a QSPR study relating topological indices to the entropy of 69 benzene derivatives is reported. The entropy values were calculated at HF level of theory (6-31 G basis sets) by Gussian 98.
Seyed Hossein HOSSEINI, Fatemeh SHAFIEI   +1 more
doaj   +1 more source

A convenient method for the synthesis of (prop-2-ynyloxy)benzene derivatives via reaction with propargyl bromide, their optimization, scope and biological evaluation. [PDF]

PLoS ONE, 2014
A highly convenient method has been developed for the synthesis of (prop-2-ynyloxy) benzene and its derivatives. Differently substituted phenol and aniline derivatives were allowed to react with propargyl bromide in the presence of K2CO3 base and acetone
Tannaza Batool, Nasir Rasool, Yasmeen Gull, Mnaza Noreen, Faiz-ul-Hassan Nasim, Asma Yaqoob, Muhammad Zubair, Usman Ali Rana, Salah Ud-Din Khan, M Zia-Ul-Haq, Hawa Z E Jaafar   +10 more
doaj   +1 more source

CLXI.—Substituted thiolazo-derivatives of benzene [PDF]

J. Chem. Soc., Trans., 1912
n ...
Fox, John Jacob, Pope, Frank George
openaire   +2 more sources

Organic Materials of Tomorrow: Horizons of Artificial Intelligence

Advanced Materials, EarlyView.
This review examines machine learning techniques accelerating the discovery of organic semiconductors by linking molecular structure to properties. Key methods include graph neural networks, generative models, and active learning. Applications to organic photovoltaics demonstrate practical impact.
Harold Mena, J. Terence Blaskovits, Kun‐Han Lin, Denis Andrienko   +3 more
wiley   +1 more source

“Smelltronics”—From Gas to Smell Sensing

Advanced Materials, EarlyView.
The emerging field of smelltronics, encompassing sensing technologies for complex volatile organic compounds, holds significant potential for extracting valuable chemical information. It facilitates the noninvasive, real‐time monitoring of humans, food, and the environment.
Takeshi Ono, Tsunaki Takahashi, Jiangyang Liu, Haruka Honda, Zeng Jing, Wataru Tanaka, Takuro Hosomi, Takeshi Yanagida   +7 more
wiley   +1 more source