Results 281 to 290 of about 3,158,128 (352)

Local‐Hybrid Functional With a Composite Local Mixing Function Built From a Neural Network and a Strong‐Correlation Model

Journal of Computational Chemistry, Volume 47, Issue 3, 30 January 2026.
A new local hybrid functional, LH25nP, is reported, that uses a neural‐network local mixing function for the position‐dependence of exact‐exchange admixture trained with a human‐designed strong‐correlation factor. It thereby escapes the usual zero‐sum game between delocalization and static‐correlation errors.
Artur Wodyński, Martin Kaupp
wiley   +1 more source

Optimizing Phosphorescence in Platinum(II)-Based Emitters: A Study of Polymer Hosts and Doping Strategies. [PDF]

ACS Omega
Antonova EV, Romanov AS, Salomatina EV, Katkova SA, Kinzhalov MA.   +4 more
europepmc   +1 more source

Review of the Most Important Research Trends in Potential Chemotherapeutics Based on Coordination Compounds of Ruthenium, Rhodium and Iridium. [PDF]

Pharmaceuticals (Basel)
Gilewska A, Barszcz B, Masternak J.
europepmc   +1 more source

An investigation of the photochemistry of organometallic metal carbonyl compounds by transient spectroscopic techniques

, 1993
Irene M. McGrath
openalex   +1 more source

Switchable Reactivities of Metalated Phosphasilenes Regulated by Reversible 1,2‐Metal Migration

Angewandte Chemie, Volume 138, Issue 5, 28 January 2026.
We develop novel strategies for the facile synthesis of anionic phosphasilenes in the forms of both P‐metalation and Si‐metalation. The P‐metalated phosphasilene displays a pronounced π‐bond‐driven reactivity toward robust inert molecules, whereas the Si‐metalated analogue behaves as a silylene equivalent via a retro‐1,2‐silver migration.
Huaiyuan Zhu, Shicheng Dong, Xufang Liu, Xiyuan Li, Tobias Weng, Jun Zhu, Shigeyoshi Inoue   +6 more
wiley   +1 more source

Pure Molecular Inorganic Rings: Mixed Group 14/15 Metallacycles. [PDF]

Angew Chem Int Ed Engl
Maier S, Sun X, Zimmermann L, Köppe R, Scheer M, Roesky PW.   +5 more
europepmc   +1 more source

From Plastic Waste to Pharmaceutical Precursors: PET Upcycling Through Ruthenium Catalyzed Semi‐Hydrogenation

Angewandte Chemie, Volume 138, Issue 5, 28 January 2026.
We present a new catalytic process that converts real‐life PET waste into ethyl 4‐hydroxymethylbenzoate (EHMB), which serves as a valuable intermediate for the synthesis of pharmaceuticals, an insecticide, and a novel polyester. Abstract We report here the upcycling of PET (polyethylene terephthalate) waste via semihydrogenation to make ethyl 4 ...
Pavel S. Kulyabin, James Luk, Evgeny A. Uslamin, Alexander A. Kolganov, Garima Saini, Raymundo Marcial‐Hernandez, Ketan Pancholi, Benjamin Kühne, Alexander Dauth, Aidan P. McKay, David B. Cordes, Evgeny A. Pidko, Amit Kumar   +12 more
wiley   +1 more source

Rhenium Chalcogenide Clusters Containing <i>para</i>-Substituted Phenylacetylide Ligands: Synthesis, Characterization, and Investigation of Substituent Effects on Spectroscopic and Electrochemical Properties. [PDF]

Organometallics
Helmink KL, Hicks CA, Lauper-Cook BS, Peters SJ, Daley CJA, Molard Y, Szczepura LF.   +6 more
europepmc   +1 more source

Tuning the performances of perovskite solar cells using effective organic molecular hole-transporting materials: a review. [PDF]

Front Chem
Zou XW, Guo P, Zhou YY, Luo YM, Li YY, Yang QY.   +5 more
europepmc   +1 more source

Tuning Histone Site Selectivity in the Nucleosome with Organometallic Agents

Levy A, Adhireksan Z, von Erlach T, Palermo G, Nazarov AA, Hartinger CG, Dyson PJ, Rothlisberger U, Davey CA.   +8 more
europepmc   +1 more source