Results 171 to 180 of about 625,356 (326)
Exploring the Cocrystal Landscape of Posaconazole by Combining High-Throughput Screening Experimentation with Computational Chemistry. [PDF]
Guidetti M+4 more
europepmc +1 more source
A materials and device design concept that comprises a self‐assembled ultra‐thin epitaxial ion‐transporting layer, an amorphous oxide overcoat oxygen‐blocking layer, and a partial filament formed during an electroforming step is proposed for low‐current multilevel resistive switching devices.
Ming Xiao+17 more
wiley +1 more source
Summary: Fast and efficient galvanostatic conversion of 2,4-diarylfurans into dimeric furan-2(5H)-ones is now possible in one pot and good yields at room temperature in sustainable aqueous organic solvent.
Belen Batanero+8 more
doaj
Target screening and optimization of candidate compounds for breast cancer treatment using bioinformatics and computational chemistry approaches. [PDF]
Xu J, Li X, Jia Y.
europepmc +1 more source
Teaching Chemistry with Computers [PDF]
Nnenna Elechi+3 more
openaire +2 more sources
A Computational Approach to Understanding Oxidant Chemistry and Aerosol Formation in the Troposphere
Bruce C. Garrett+14 more
openalex +2 more sources
Analyzing Electronic Excitations and Exciton Binding Energies in Y6 Films
The Y6 molecule is used for increasing the efficiency of organic solar cells. The exciton binding energy is calculated for ensembles of Y6 molecules that are representative of the typically used films. The calculations show that the excitons typically spread out over many molecules.
Sahar Javaid Akram+2 more
wiley +1 more source
Deepmol: an automated machine and deep learning framework for computational chemistry. [PDF]
Correia J, Capela J, Rocha M.
europepmc +1 more source
Definition of the Acceptor Substrate Binding Specificity in Plant Xyloglucan Endotransglycosylases Using Computational Chemistry. [PDF]
Stratilová B+3 more
europepmc +1 more source