Results 141 to 150 of about 54,608 (286)

Non‐Covalent Molecular Interaction Rules to Define Internal Dimer Coordinates for Quantum Mechanical Potential Energy Scans

open access: yesJournal of Computational Chemistry, Volume 46, Issue 14, May 30, 2025.
A molecular interaction rules (MIR) workflow for generating potential energy scans of non‐covalent interactions between molecules in well‐defined orientations is presented. This approach allows for systematic investigation of intermolecular interactions across a wide range of functional groups and model chemistries, facilitating the optimization of ...
Suliman Sharif   +2 more
wiley   +1 more source

A General Formula for Compound Channel Capacity [PDF]

open access: yesarXiv, 2016
A general formula for the capacity of arbitrary compound channels with the receiver channel state information is obtained using the information density approach. No assumptions of ergodicity, stationarity or information stability are made and the channel state set is arbitrary. A direct (constructive) proof is given.
arxiv  

Recent Advances in Palladium‐Catalyzed Phosphonation of Aryl Halides, Sulfonates and Related Derivatives

open access: yesEuropean Journal of Organic Chemistry, Volume 28, Issue 20, May 28, 2025.
This review provides an in‐depth exploration of recent progress in palladium‐catalyzed phosphonation, focusing on the use of aryl halides, sulfonates and related derivatives as key substrates. It discusses innovations in catalytic systems, reaction conditions, and substrate versatility while addressing limitations such as low reactivity of certain ...
YiYi Yang, On Ying Yuen, Chau Ming So
wiley   +1 more source

Special Issue “Progress in Synthesis and Applications of Phosphorus-Containing Compounds”

open access: yesOrganics
Organophosphorus compounds, due to their interesting physicochemical properties, have found wide applications in many important areas of the chemical industry, such as the synthesis of utility chemicals [...]
Tomasz K. Olszewski
doaj   +1 more source

On the Synthesis of [1,3]Azaphospholo[4,5‐f]quino(xa)lines and 2,3‐Dihydro‐[1,3]azaphospholo[4,5‐f]quino(xa)line 1‐oxides

open access: yesEuropean Journal of Organic Chemistry, Volume 28, Issue 17, May 21, 2025.
Syntheses of quinoline and quinoxaline derivatives fused with phosphacycles were developed from commercially available quinolin‐6‐amine and quinoxalin‐6‐amine. Abstract Despite their potential in areas such as medicinal chemistry and organic materials, scaffolds in which quinoline and quinoxaline are fused to phosphacycles such as 1,3‐oxaphosphole, 1,3‐
Mohamed Ali Dridi   +9 more
wiley   +1 more source

A Coupling Proof of Convex Ordering for Compound Distributions [PDF]

open access: yesarXiv, 2019
In this paper, we give an alternative proof of the fact that, when compounding a nonnegative probability distribution, convex ordering between the distributions of the number of summands implies convex ordering between the resulting compound distributions.
arxiv  

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