Results 201 to 210 of about 5,336,405 (341)

Theoretical Study on Imidazopyridinyl-chalcones based Dimers Mechanism of Formation Using Quantum Chemistry Methods

, 2021
Bibata Konaté, Sopi Thomas Affi, Doh Soro, Kafoumba Bamba, Nahossé Ziao   +4 more
openalex   +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

Solving the "General Elution Problem" of Ion Mobility Spectrometry: Single-Run Voltage Sweep. [PDF]

Anal Chem
Bale A, Koop T, Vyhmeister L, Valdez G, Fehr J, Davis E.   +5 more
europepmc   +1 more source

Support for the American Conference on Theoretical Chemistry 2022

Sergey A. Varganov
openalex   +2 more sources

Advancing Electronic Application of Coordination Solids: Enhancing Electron Transport and Device Integration via Surface‐Mounted MOFs (SURMOFs)

Advanced Functional Materials, EarlyView.
The layer‐by‐layer (LbL) assembly of coordination solids, enabled by the surface‐mounted metal‐organic framework (SURMOF) platform, is on the cusp of generating the organic counterpart of the epitaxy of inorganics. The programmable and sequential SURMOF protocol, optimized by machine learning (ML), is suited for accessing high‐quality thin films of ...
Zhengtao Xu, Christof Wöll, Stefan Bräse   +2 more
wiley   +1 more source

Computed ECD spectral data for over 10,000 chiral organic small molecules. [PDF]

Sci Data
Long D, Li Z, Xu X, Liu C, Zhang H, Cao X, Yang L, Wang X, Mo F.   +8 more
europepmc   +1 more source

Theoretical chemical kinetics in tropospheric chemistry: methodologies and applications.

Chemical Reviews, 2015
L. Vereecken, D. Glowacki, M. Pilling
semanticscholar   +1 more source

Theoretical Frameworks for Research in Chemistry / Science Education

, 2009
Andoni Garritz
openalex   +1 more source

The Theoretical Prediction of Thermophysical properties, HOMO, LUMO, QSAR and Biological Indics of Cannabinoids (CBD) and Tetrahhdrocannabinol (THC) by Computational Chemistry [PDF]

, 2019
Ajoy Kumer, Nuruzzaman Sarker, Sunanda Paul, Afroza Zannat   +3 more
openalex   +1 more source

Dual‐Mode Film Based on Highly Scattering Nanofibers and Upcycled Chips‐Bags for Year‐Round Thermal Management

Advanced Functional Materials, EarlyView.
Intelligent radiative cooling devices, adaptable to various weather conditions, have the potential for year‐round energy savings. This study introduces a sustainable dual‐mode film made from polycaprolactone nanofibers and upcycled chip bags for effective thermal management.
Qimeng Song, Stefan Rettinger, Chengzhang Xu, Ulrich Mansfeld, Markus Retsch   +4 more
wiley   +1 more source