Orbital Tuning of the β-Lactam Warhead: Intrinsic n → π* Preactivation in Cephalosporins. [PDF]
Mato S +4 more
europepmc +1 more source
ABSTRACT Aim To investigate international evidence on home visits and parenting interventions delivered by nurses and midwives and to identify core components, such as intervention content, programme characteristics, contextual factors and implementation elements shared by effective interventions. Design Scoping Review.
Outi Savolainen +2 more
wiley +1 more source
TeO<sub>2</sub>-modified SiO<sub>2</sub>-B<sub>2</sub>O<sub>3</sub>-Al<sub>2</sub>O<sub>3</sub> glasses with enhanced dielectric constant and dissipation factor for advanced semiconductor packaging applications. [PDF]
Kadathala L +4 more
europepmc +1 more source
Oxygen Therapy for Intracranial Hemorrhage. [PDF]
Shi Q +10 more
europepmc +1 more source
A regio‐ and diastereoselective method for strain‐release pentafluorosulfanylation of carbonyl‐containing 1,3‐disubstituted [1.1.0]bicyclobutanes (BCBs) was developed that led to several fortuitous discoveries. For instance, the resultant SF5‐cyclobutanes (SF5‐CBs) exhibit close SF5⋯C═X contacts (X = C, N, O) and provide synthetic access to a new class
Alexander M. Stephens +9 more
wiley +2 more sources
Size-dependent activation of ammonia borane on copper clusters (Cu <sub><i>x</i></sub> , <i>x</i> = 2-10): a DFT study of bonding, electronic structure, and hydrogen evolution. [PDF]
Abdelrazek GM +3 more
europepmc +1 more source
Phosphine oxide reduction with silanes is governed by phosphine oxide distortion and silane interaction energies. In R3SiH silanes, NBO analysis reveals that n(O)→σ*(SiR) donation is distributed among several acceptor orbitals, whereas in Ph2RSiH silanes, small electronegative substituents directly bonded to silicon (RCl, OCN, OH) enhance the σ ...
Leonardo I. Lugo‐Fuentes +4 more
wiley +1 more source
Schleyer-type hyperconjugative aromaticity in CH isomers of diazoles revealed by DFT and NBO analysis. [PDF]
Dehkordi PN +3 more
europepmc +1 more source
The Stabilization of High‐Nitrogen Systems: 10 Catenated Nitrogen Chain
Improving the understanding of high‐nitrogen materials. ABSTRACT High‐nitrogen materials have attracted intense interest in recent decades due to their unique chemical, physical, and biological properties. Stabilizing high‐nitrogen materials is often challenging as they become more unstable with increasing nitrogen catenation and nitrogen mass ...
Nicholas F. Scherschel +3 more
wiley +1 more source
Computational Study of Arsenite Binding to Tetraglycine: Structural and Energetic Insights. [PDF]
Sarma M, Sarma M.
europepmc +1 more source

