Results 51 to 60 of about 59,325 (262)
QUANTUM CHEMICAL CALCULATIONS OF SOME BENZENE DERIVATIVES
Journal of Amasya University the Institute of Sciences and Technology, 2020 HOMO-LUMO energies, hardness, Mulliken, electronic and zero-point energy, Mulliken charges of benzene, fluorobenzene, chlorobenzene, bromobenzene, nitrobenzene, cyanobenzene, trifluoromethyl benzene, ethenylbenzene, di, tri, tetra and penta fluorobenzene
Fatma Kandemirli, Fatma Genç
doaj
Advanced Materials, EarlyView.Fluorene‐functionalized spiro‐phenothiazine (PTZ‐Fl) exhibits strong Li+ affinity and thermal stability, enabling a PCE of 25.75% in small‐area cells and 22.07% in 25 cm2 modules. Under ISOS‐L3 conditions, PTZ‐Flbased devices retain over 80% efficiency after 1000 hours, demonstrating superior stability and scalability compared to spiro‐OMeTAD for next ...
Javier Urieta‐Mora +17 more
wiley +1 more source
CIX.—Azo-benzene derivatives of phloroglucinol [PDF]
J. Chem. Soc., Trans., 1897 n ...
openaire +2 more sources
Advanced Materials, EarlyView.Highly water‐soluble dicationic bis(indolium) dyes have been prepared, showing excellent two‐photon absorption and light emission. Their fluorescence behavior discloses an unusual increasing blue shift with increasing solvent polarity, which, in parallel, is beneficial for enhanced detection in biological media.
Carlos Benitez‐Martin +5 more
wiley +1 more source
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
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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 +2 more
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Azaporphyrinoid‐Based Photo‐ and Electroactive Architectures for Advanced Functional Materials
Advanced Materials, EarlyView.A long‐standing collaboration between the Torres and Guldi groups has yielded diverse azaporphyrinoid‐based donor‐acceptor nanohybrids with promising applications in solar energy conversion. This conspectus highlights key molecular platforms and structure‐function relationships that govern light and charge management, supporting the rational design of ...
Jorge Labella +3 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 +1 more
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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 +4 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 +10 more
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