Results 61 to 70 of about 527,698 (329)
Advanced Functional Materials, EarlyView.In this study, the interplay of dipolar dynamics and ionic charge transport in MOF compounds is investigated. Synthesizing the novel structure CFA‐25 with integrated freely rotating dipolar groups, local and macroscopic effects, including interactions with Cs cations are explored.
Ralph Freund +6 more
wiley +1 more source
Bulletin of Chemical Reaction Engineering & Catalysis, 2021 Flavanones are one of the flavonoid group that has wide variety of applications such as a precursors in drug discovery. In the laboratory, flavanone is often synthesized from chalcone compounds. The conversion of chalcone to flavanone can be catalyzed by
Suci Zulaikha Hildayani +2 more
doaj +1 more source
Fatal injuries to car occupants: analysis of health and population data [PDF]
, 2007 Although this report was commissioned by the Department for Transport (DfT), the findings and recommendations are those of the authors and do not necessarily represent the views of the DfT. While the DfT has made every effort to ensure the information in
Christie, N +4 more
core
DFT and TD-DFT investigation of calix[4]arene interactions with TFSI− ion [PDF]
Heliyon, 2019 Understanding the interactions of the calix[n]arene molecules with a variety of invited chemicals entities is getting very important. In this context, we have studied a new host-guest such as the interaction of the calix[4]arenes with the bis (trifluoromethylsulfonyl) imide TFSI- ion.
B. Gassoumi +3 more
openaire +5 more sources
Advanced Functional Materials, EarlyView.This work presents an overview of the PTC‐VMD system for water‐hydrogen co‐generation. a) Illustration of the hydrogel‐based PTC membrane and the co‐generation of water and hydrogen. b) Structure of the PTC‐VMD system and the functions of each component layer.
Jiawei Sun +7 more
wiley +1 more source
, 2017 Using density functional theory (DFT) and density functional perturbation theory (DFPT), we investigate the stability and response functions of CsH$_2$PO$_4$, a ferroelectric material at low temperature.
Giantomassi, Matteo +5 more
core +1 more source
Non-associative Deformations of Geometry in Double Field Theory [PDF]
, 2014 Non-geometric string backgrounds were proposed to be related to a non-associative deformation of the space-time geometry. In the flux formulation of double field theory (DFT), the structure of mathematically possible non-associative deformations is ...
Blumenhagen, Ralph +4 more
core +4 more sources
Advanced Functional Materials, Volume 35, Issue 12, March 18, 2025.The ultraselective H2S detection of the ZIF‐L/SnS2 heterostructure is demonstrated. The introduction of 2‐dimensional (2D) breathable ZIF‐L results in a substantial increase in H2S selectivity attributable to the molecular sieving effect, which impedes the permeation of gases with large kinetic diameters and high polarity.
Soo Min Lee +7 more
wiley +1 more source
Transition metals doped ZnO nanocluster for ethylene oxide detection: A DFT study
Main Group Metal Chemistry, 2019 Density functional theory (DFT) studies at B3LYP/6-31G (d) (Becke, 3-parameter, Lee-Yang-Parr) level were performed to evaluate adsorption interactions between ethylene oxide (EO) molecule, and pristine and transition metals (TM) (i.e., Sc, Ti, V, Cr, Mn,
Afshari Tooba, Mohsennia Mohsen
doaj +1 more source
Two-dimensional colloidal fluids exhibiting pattern formation [PDF]
, 2015 Fluids with competing short range attraction and long range repulsive interactions between the particles can exhibit a variety of microphase separated structures.
Andrew J. Archer +7 more
core +3 more sources