Results 111 to 120 of about 129,793 (295)

MRCI+Q study on spectroscopic parameters and molecular constants of X1Σ+ and A1Π electronic states of the SiSe molecule

Acta Physica Sinica, 2013
The potential energy curves (PECs) of X1Σ+ and A1Π electronic states of the SiSe molecule are calculated using the internally contracted multireference configuration interaction approach with the Davidson modification (MRCI+Q) with the correlation-consistent basis sets, aug-cc-pV5Z and aug-cc-pVQZ. In order to improve the quality of the PEC, the PEC is
null Xing Wei, null Liu Hui, null Shi De-Heng, null Sun Jin-Feng, null Zhu Zun-Lüe   +4 more
openaire   +1 more source

Biodegradable and Recyclable Luminescent Mixed‐Matrix‐Membranes, Hydrogels, and Cryogels based on Nanoscale Metal‐Organic Frameworks and Biopolymers

Advanced Functional Materials, Volume 36, Issue 43, 29 May 2026.
The study presents biodegradable and recyclable mixed‐matrix membranes (MMMs), hydrogels, and cryogels using luminescent nanoscale metal‐organic frameworks (nMOFs) and biopolymers. These bio‐nMOF‐MMMs combine europium‐based nMOFs as probes for the status of the materials with the biopolymers agar and gelatine and present alternatives to conventional ...
Moritz Maxeiner, Julian Burkhart, Kateryna Borysova, Chiara Mazzariol, Klaus Müller‐Buschbaum   +4 more
wiley   +1 more source

Chemical Sensors and Computer-Aided Analytical Chemistry

CHIMIA, 1997
A simplified thermodynamic model of potentiometric and optical ion sensor membranes allows to improve their properties and the measurement of complex formation constants in membrane phases.
Ernö Pretsch
doaj   +2 more sources

Modulating Two‐Photon Absorption in a Pyrene‐Based MOF Series: An In‐Depth Investigation of Structure–Property Relationships

Advanced Functional Materials, Volume 36, Issue 43, 29 May 2026.
This study investigates H4TBAPy‐based metal–organic frameworks (MOFs) ‐ NU‐1000, NU‐901, SrTBAPy, and BaTBAPy ‐ for multiphoton absorption (MPA) performance. It observes topology‐dependent variations in the 2PA cross‐section, with BaTBAPy exhibiting the highest activity.
Simon N. Deger, Helmy Pacheco Hernandez, Yang Cui, Hongxing Hao, Vanessa Ramm, David C. Mayer, Khai‐Nghi Truong, Roland A. Fischer, Jürgen Hauer, Mariana Kozlowska, Alexander Pöthig   +10 more
wiley   +1 more source

Laser‐Induced Graphene from Waste Almond Shells

Advanced Functional Materials, EarlyView.
Almond shells, an abundant agricultural by‐product, are repurposed to create a fully bioderived almond shell/chitosan composite (ASC) degradable in soil. ASC is converted into laser‐induced graphene (LIG) by laser scribing and proposed as a substrate for transient electronics.
Yulia Steksova, Anna Chiara Bressi, Marina Galliani, Attilio Marino, Gianni Ciofani, Eduardo Machado‐Charry, Hilda Gomez Bernal, Alessandra Francini, Luca Sebastiani, Francesco Greco   +9 more
wiley   +1 more source

4-Bromobenzene Sulfonate Derivatives: Synthesis, Characterization, DFT and Molecular Docking Study

Acta Chimica Slovenica
4-bromobenzenesulfonate derivatives (I and II) were prepared and characterized by FTIR and NMR spectroscopic methods and density functional theory. Acceptable deviations were found where the scaled vibrational frequencies at B3LYP/6-311++G(d,p) were ...
Meryem Evecen, Fatih Celik, Yasemin Unver, Halil İbrahim Güler   +3 more
doaj   +1 more source

Biomass Native Structure Into Functional Carbon‐Based Catalysts for Fenton‐Like Reactions

Advanced Functional Materials, EarlyView.
This study indicates that eight biomasses with 2D flaky and 1D acicular structures influence surface O types, morphology, defects, N doping, sp2 C, and Co nanoparticles loading in three series of carbon, N‐doped carbon, and cobalt/graphitic carbon. This work identifies how these structural factors impact catalytic pathways, enhancing selective electron
Wenjie Tian, Jingkai Lin, Zhihao Tian, Selusiwe Ncube, Huayang Zhang, Emiliano Cortés, Hongqi Sun, Shaobin Wang   +7 more
wiley   +1 more source

Modified l-states of diatomic molecules subject to central potentials plus an angle-dependent potential

, 2009
We present modified $\ell$-states of diatomic molecules by solving the radial and angle-dependent parts of the Schr\"odinger equation for central potentials, such as Morse and Kratzer, plus an exactly solvable angle-dependent potential $V_{\theta}(\theta)
Berkdemir, Cuneyt, Sever, Ramazan
core   +1 more source

Fast‐Responding O2 Gas Sensor Based on Luminescent Europium Metal‐Organic Frameworks (MOF‐76)

Advanced Functional Materials, Volume 36, Issue 43, 29 May 2026.
Luminescent MOF‐76 materials based on Eu(III) and mixed Eu(III)/Y(III) show rapid and reversible changes in emission intensity in response to O2 with very short response times. The effect is based on triplet quenching of the linker ligands that act as photosensitizers. Average emission lifetimes of a few milliseconds turn out to be mostly unaffected by
Zhenyu Zhao, Christian Weinberger, Jakob Steube, Matthias Bauer, Martin Brehm, Michael Tiemann   +5 more
wiley   +1 more source

Rheological Modeling, Spectroscopic and Physicochemical Characterization of Raphia hookeri (RH) Gum Exudate

Walailak Journal of Science and Technology, 2014
Raphia hookeri (RH) gum exudate has been analysed for physical (colour, odour, taste, pH, salinity, turbidity), chemical (solubility in some solvents, proximate/elemental composition, vitamin composition, phytochemicals and anti-nutrients) and ...
Nnabuk Okon EDDY, Inemesit UDOFIA, Stephen Eyije ABECHI, Edward OKEY, Anduang ODIONGENYI   +4 more
doaj   +1 more source