Results 61 to 70 of about 156,621 (307)

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

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

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

Bio‐Orthogonally Crosslinked Supramolecular Polymer Bottlebrush Hydrogels for Long‐Term 3D Cell Culture

Advanced Functional Materials, EarlyView.
Fibrous benzenetrispeptide (BTP) hydrogels, fabricated via strain‐promoted azide‐alkyne cycloaddition (SPAAC) crosslinking, form robust, bioinert networks. These hydrogels can support 3D cell culture, where cell viability and colony growth depend on the fiber content.
Ceren C. Pihlamagi, David Pretzel, Peer Nölte, Kourosh Rezaei, Ulrich S. Schubert, Johannes C. Brendel   +5 more
wiley   +1 more source

Simultaneous Ejection of Six Electrons at a Constant Potential by Hexakis(4-ferrocenylphenyl)benzene [PDF]

, 2006
A simple synthesis of a dendritic hexaferrocenyl electron donor (5) is described in which six ferrocene moieties are connected at the vertices of the propeller of the hexaphenylbenzene core.
Chebny, Vincent J., Dhar, Dwairath, Lindeman, Sergey V., Rathore, Rajendra   +3 more
core   +1 more source

Zwitterionic Self‐Assembled Monolayer for Simultaneous Noise Suppression and Hole Extraction in High‐Performance Near‐Infrared Organic Photodetectors

Advanced Functional Materials, EarlyView.
This study presents a new hole transporting material (HTM) mechanism for self‐assembled monolayers in near‐infrared organic photodetectors. The formation of zwitterions induces a strong electric field that significantly increases the work function of HTM‐coated indium tin oxide substrates. The devices exhibit low dark current and noise, along with high
Jiyoung Shin, Gyeong Min Lee, Juyeon Shin, Jaewoong Kim, Tae Hyuk Kim, Do Yeon Kim, Myeong In Kim, Kyeounghak Kim, Jae Won Shim, In Hwan Jung   +9 more
wiley   +1 more source

Vibrational Relaxation in Several Derivatives of Benzene [PDF]

International Journal of Thermophysics, 2012
Acoustical spectroscopy at frequencies up to 10 GHz gives the possibility of the investigation of liquid substances, where the relaxation process observed is caused by energy transfer between translational and vibrational degrees of freedom. The compounds presented in this article belong to this group of liquids.
Linde, Bogumił B. J., Skrodzka, Ewa B., Lezhnev, Nikołaj B.   +2 more
openaire   +1 more source

Covalent Organic Frameworks for Photocatalytic CO2 Reduction: Metal Integration Principles, Strategies and Functions

Advanced Functional Materials, EarlyView.
Covalent organic frameworks (COFs) with metals have been recognized as versatile platforms for photocatalytic CO2 reduction (CO2PRR). Herein, an overview of metal integration strategies for COFs is systematically summarized. Regulatory mechanisms and structure–activity relationships between metal integration and COF‐based CO2PRR are emphasized.
Jie He, Minxian Zhang, Jinqiang Zhang, Hongqi Sun, Shaobin Wang, Xiaoguang Duan   +5 more
wiley   +1 more source

New Multi-1,2,3-Selenadiazole Aromatic Derivatives

Molecules, 2005
The aromatic polyketones 3a-d are versatile compounds for the synthesis of the multi-1,2,3-selenadiazole aromatic derivatives 1a-d. The preparation starts with the reaction between the multi-bromomethylene benzene derivatives 2a-d and 4-hydroxy ...
S. Ratrout, M. Al-Smadi
doaj   +1 more source

Cumulant expansion for fast estimate of non-Condon effects in vibronic transition profiles

, 2017
When existing, cumulants can provide valuable information about a given distribution and can in principle be used to either fully reconstruct or approximate the parent distribution function.
Berger, Robert, Huh, Joonsuk
core   +1 more source