Results 181 to 190 of about 669,188 (305)

Exploring Dipolar Dynamics and Ionic Transport in Metal‐Organic Frameworks: Experimental and Theoretical Insights

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, Arthur Schulz, Peter Lunkenheimer, Maryana Kraft, Thomas Bergler, Harald Oberhofer, Dirk Volkmer   +6 more
wiley   +1 more source

Chemical signaling in reaction networks generates corresponding mechanical impulses. [PDF]

PNAS Nexus
Shklyaev OE, Balazs AC.
europepmc   +1 more source

Simplification of Stochastic Chemical Reaction Models with Fast and Slow Dynamics

Journal of biological physics (Print), 2007
G. Dong, Luke Jakobowski, M. Iafolla, D. McMillen   +3 more
semanticscholar   +1 more source

Enhancing Optoelectronic Properties in Phthalocyanine‐Based SURMOFs: Synthesis of ABAB Linkers by Avoiding Statistical Condensation with Tailored Building Blocks

Advanced Functional Materials, EarlyView.
A novel phthalocyanine (PC)‐based metal–organic framework (MOFs) is synthesized using ditopic PC linkers obtained through regioselective statistical condensation. The resulting MOF exhibits significant improvements in electronic absorption, thereby enhancing the material's performance in light harvesting and energy conversion.
Lukas S. Langer, Mareen Stahlberger, Xiaojing Liu, Yi Luo, Niklas E. Häußermann, Puja Singhvi, Yidong Liu, Olaf Fuhr, Martin Nieger, Lars Heinke, Thomas Heine, Christof Wöll, Stefan Bräse   +12 more
wiley   +1 more source

A Network Model of Chemical Reactions in Primitive Cells.

Seibutsu Butsuri, 1999
Y. Togashi, K. Kaneko
openaire   +2 more sources

Ideal Molecular Sieving with a Dense MOF for Helium Upgrading with Highly Diffusion Selective Mixed Matrix Membranes

Advanced Functional Materials, EarlyView.
The separation of Helium gas from natural gas is challenging but highly important. MIL‐116(Ga), a “non‐porous” metal–organic framework is used as a molecular sieve to separate He from CH4. Druse‐like MIL‐116(Ga) particles are integrated into polysulfone mixed matrix membranes.
Ayisha Komal, Laura Calderón‐Rodríguez, Oksana Smirnova, Eren Grossmann, Aparna Binu Varghese, Karen Marlenne Garcia Alvarez, Andreas Schneemann, Thomas Hoyer, Ralf Wyrwa, Felix Helmut Schacher, Alexander Knebel   +10 more
wiley   +1 more source

Conditional Variational AutoEncoder to Predict Suitable Conditions for Hydrogenation Reactions. [PDF]

Molecules
Mazitov D, Gimadiev T, Poyezzhayeva A, Afonina V, Madzhidov T.   +4 more
europepmc   +1 more source

Syntax-Guided Optimal Synthesis for Chemical Reaction Networks

International Conference on Computer Aided Verification, 2017
L. Cardelli, Milan Ceska, M. Fränzle, M. Kwiatkowska, L. Laurenti, Nicola Paoletti, M. Whitby   +6 more
semanticscholar   +1 more source

Modeling and analysis of non-isothermal chemical reaction networks

, 2018
In this dissertation, we use different approaches to the geometric modeling and analysis of non-isothermal mass action kinetics chemical reaction networks. These approaches can be divided into two classes: one based on the port-Hamiltonian system theory, and the other based on the theory of contact systems.
openaire   +1 more source

Intermolecular Interactions as Driving Force of Increasing Multiphoton Absorption in a Perylene Diimide‐Based Coordination Polymer

Advanced Functional Materials, EarlyView.
This study uncovers the unexplored role of intermolecular interactions in multiphoton absorption in coordination polymers. By analyzing [Zn2tpda(DMA)2(DMF)0.3], it shows how the electronic coupling of the chromophores and confinement in the MOF enhance two‐and three‐photon absorption.
Simon Nicolas Deger, Anna Mauri, Yang Cui, Sebastian Josef Weishäupl, Ali Deniz Özdemir, Hamad Syed, Aleksandr Ovsianikov, Wolfgang Wenzel, Alexander Pöthig, Jürgen Hauer, Mariana Kozlowska, Roland Augustinus Fischer   +11 more
wiley   +1 more source