Results 241 to 250 of about 305,413 (295)

2D MOF with Intrinsic Porosity for Colorimetric Volatile Organic Compounds (VOCs) Detection

Advanced Materials, EarlyView.
An uncommon 2D MOF with intrinsic in‐plane porosity that can be mechanically exfoliated undergoes a distinct and reversible colour change upon exposure to various volatile organic compounds. ABSTRACT In this work, we report an uncommon 2D metal–organic framework (MOF) with intrinsic in‐plane porosity that undergoes a distinct and reversible colour ...
Sergio R. Gamarra, Alberto Fernández‐Alarcón, Joaquín Calbo, Enrique Ortí, Guillermo Mínguez Espallargas   +4 more
wiley   +1 more source

Novel colored hydroxypropyl methyl cellulose/ magnetite carbon dots films for beef packaging with DFT calculations and molecular docking study. [PDF]

Sci Rep
Tohamy HS.
europepmc   +1 more source

Single‐Chromophore Homojunction Organic Solar Cells: A Path to Simplicity and Efficiency

Advanced Materials, EarlyView.
This perspective discusses how the intrinsic optoelectronic properties of organic semiconductors, their molecular packing in the solid‐state, and internal energetic gradients within a device can enable free‐charge carrier generation in homojunction organic solar cells.
Shaun McAnally, Paul L. Burn, Paul E. Shaw   +2 more
wiley   +1 more source

DFT Calculations of Structure and IR Spectra of M@C₆₀ and M₂@C₆₀ Endofullerenes (M=Sc and Y). [PDF]

Molecules
Krisilov AV, Nechaev IV, Chernov VE, Kallu GE.   +3 more
europepmc   +1 more source

Synthesis, Characterization, Biological Evaluation, DFT Calculations, and Molecular Docking Study of Transition Metal Complexes Derived From a Schiff Base Ligand. [PDF]

Chem Biodivers
Waziri I, Wahab OO, Mala GA, Ismaila MB, Umaru U, Abd El-Maksoud MS, Wakil IM, Yusuf TL.   +7 more
europepmc   +1 more source

Docking, MD Simulations, and DFT Calculations: Assessing W254's Function and Sartan Binding in Furin. [PDF]

Curr Issues Mol Biol
Georgiou N, Mavromoustakos T, Tzeli D.
europepmc   +1 more source

A Study of the Structure of an Anion Exchange Resin with a Quaternary Ammonium Functional Group by Using Infrared Spectroscopy and DFT Calculations. [PDF]

Materials (Basel)
Chruszcz-Lipska K, Szostak E.
europepmc   +1 more source

The Impact of Carbon on Electronic Structure of N-Doped ZnO Films: Scanning Photoelectron Microscopy Study and DFT Calculations. [PDF]

Nanomaterials (Basel)
Guziewicz E, Mishra S, Amati M, Gregoratti L, Volnianska O.   +4 more
europepmc   +1 more source

Ambiguities in Assigning Single-Crystal NMR Data to Individual Atoms in the Crystal Structure: A Case Study of Hambergite, Be₂BO₃OH, by ⁹Be and ¹¹B NMR Spectroscopy, XRD Measurements and DFT Calculations. [PDF]

Magn Reson Chem
Steinadler J, Krach G, Witthaut K, Stürzer T, Hochleitner R, Schnick W, Bräuniger T.   +6 more
europepmc   +1 more source

Spin-Polarized DFT Calculations and Magnetism

, 2006
openaire   +1 more source