Results 181 to 190 of about 66,338 (262)

Protonation‐Induced Electron Density Redistribution Facilitates Aggregation in PNNP Dicopper Hydride Complexes

Chemistry – A European Journal, EarlyView.
Copper(I) hydride complexes often exhibit diverse aggregation behavior that can profoundly influence their structure and reactivity. In this study we use a combined experimental and computational approach to identify key structural an electronic factors that govern aggregation in PNNP dicopperhydride complexes.
Roel Laurentius Maria Bienenmann, Chattawat Thangsrikeattigun, Alexandra Julia Schanz, Martin Lutz, Mu‐Hyun Baik, Daniël Laurens Johannes Broere   +5 more
wiley   +1 more source

External Validation of Diagnosis Codes to Identify Pediatric Mental Health Emergency Department Visits for Aggression. [PDF]

Pediatr Emerg Care
Wnorowska JH, Harmon A, Lorenz D, Hoffmann JA.   +3 more
europepmc   +1 more source

Transitioning Formamide Solvothermal Syntheses of MOFs to Less Toxic Solvents

Chemistry – A European Journal, EarlyView.
Metal‐organic Frameworks (MOFs) are commonly synthesized in toxic formamide solvents. This study investigates the synthetic factors required for effective removal of formamides across various classes of MOFs, providing a foundation for designing new sustainable MOF syntheses.
Julia C. Donovan, Evelyn C. Peterson, Adam J. Matzger   +2 more
wiley   +1 more source

Observer-Based Source Localization in Tree Infection Networks via Laplace Transforms. [PDF]

Bull Math Biol
O'Connor GK, Jess JM, Costello D, Lladser ME.   +3 more
europepmc   +1 more source

Synthesis and Glycosidase Inhibition Studies of Novel Exoglycals Targeting GH3 Family Enzymes: Insights from Comparative Analysis with Macrolide Antibiotics

Chemistry – A European Journal, EarlyView.
A series of structurally diverse exoglycals was synthesized using a modified Julia‐olefination approach from sugar‐derived precursors. These glycosidase transition‐state mimics were further diversified via CuAAC chemistry to yield triazole‐conjugated analogues.
Elisa Ospanow, Oscar L. Alferez, David L. Jakeman   +2 more
wiley   +1 more source

Evaluation of the marginal and internal fit of endocrown restorations fabricated by the CAD/CAM system using additive manufacturing technique. [PDF]

Clin Oral Investig
Santos Brito EAD, Souza MM, Borges MSN, Ramos MJL, Godoi-Lopes J, Cardoso L, Sousa-Neto MD, Chaves JFM, Tirapelli C.   +8 more
europepmc   +1 more source

Distinct Ligand‐ and Metal‐Centered Phosphorescence in a Terbium Carbazolyl Complex

Chemistry – A European Journal, EarlyView.
Terbium and lanthanum carbazolide complexes show two distinct modes of luminescence: Strongly temperature‐dependent narrow‐line terbium emission could be induced. In addition, both the terbium and the lanthanum complexes show broad‐line interligand emission processes with excited states of microsecond life‐time.
Xiaofei Sun, Frederic Krätschmer, Julia Feye, Marcel Lukanowski, Dominik Graf, Sergei Lebedkin, Manfred Kappes, Florian Weigend, Peter W. Roesky, Alexander Hinz   +9 more
wiley   +1 more source

Can You Help ChatGPT Get an "A" in Organic Chemistry? Teaching Effective Prompting of Large Language Models for Reaction Prediction. [PDF]

J Chem Educ
Thrall ES, Vanden Assem OM, Schneider JA, Schrier J, Tassoti S.   +4 more
europepmc   +1 more source

Geometry‐Based Neural‐Network Prediction of Electron Localization Function Topology in Dense Hydrogen

Chemistry – A European Journal, EarlyView.
We present a machine‐learning framework that predicts the electron localization function (ELF) of dense hydrogen directly from atomic geometry, bypassing explicit electronic‐structure calculations. Trained on ab initio data for fluid hydrogen across multiple pressures, the model achieves high accuracy and reveals pressure‐dependent nonlocal ...
Xiaoyu Wang, Miriam Marqués, Sergio Gómez, Francesc Serratosa, Eva Zurek, Julia Contreras‐García   +5 more
wiley   +1 more source

'I Put a Lot of Emotion in My Work, I Use It, It's My Tool': An Ethnographic Account of Algorithmic Homecare Assistance in the Netherlands. [PDF]

Sociol Health Illn
Bergamin E, Wallenburg I.
europepmc   +1 more source