Results 211 to 220 of about 10,868,924 (291)

Depression, Anxiety and Criminal Behaviour Between Ages 32 and 48: A Propensity Score Matching Analysis From the Cambridge Study in Delinquent Development

open access: yesCriminal Behaviour and Mental Health, EarlyView.
ABSTRACT Background Depression, anxiety and criminal behaviour are often correlated, but the direction and nature of these associations remain contested. Aims To investigate the temporal relationships between depression and/or anxiety and criminal behaviour at age 32 and depression and/or anxiety and criminal behaviour at age 48.
Kim Reising, Maria M. Ttofi
wiley   +1 more source

Multiscale Analysis of Amine‐Containing CO2 Capture Membrane via Dissipative Particle Dynamics Simulations Using Ab Initio Elongation Method‐Based Parameters

open access: yesCarbon Energy, EarlyView.
Elongation (ELG) method for calculating the electronic structures of aperiodic polymers was combined with dissipative particle dynamics (DPD) simulation to perform more reliable simulations using quantum chemistry (QC)‐based parameters. The method was employed to analyze phase separation in an amine‐containing CO2 capture membrane, and the results ...
Yuuichi Orimoto, Yuriko Aoki
wiley   +1 more source

From Charge‐Transfer Adducts to (Tri)Halide‐Templated Supramolecular Cages: Covalent vs Ionic Products in the Reactions of Pyridin‐4‐ylthio‐Substituted Tetrathiafulvalene With Dihalogens and Interhalogens

open access: yesChemistry – A European Journal, EarlyView.
The reactions between tetra(pyridin‐4‐ylthio)tetrathiafulvalene and Br2/I2/ICl/IBr led to a variety of products, including a rare example of neutral 1:4 CT adduct and ionic products showing supramolecular cage motifs at (tri)halide templates. The nature of the reaction products was elucidated based on XRD analysis, Raman spectroscopy and QTAIM, NCI ...
Anna Caria   +6 more
wiley   +1 more source

Vibrational Circular Dichroism Spectra of 2,5‐Diaminoterephtalate Macrocycles Reveal Distant Vibrational Exciton Coupling

open access: yesChemistry – A European Journal, EarlyView.
The energy level diagrams for the ν(C═O) and the δ(N─H) vibrations, resulting of combining in‐phase and out‐of‐phase modes on the basis of their local symmetries, was built by applying the exciton coupling theory to a new class of chiral macrocycles, based on the 2,5‐diaminoterephthalate scaffold.
Samara Medina   +4 more
wiley   +1 more source

Reduction Process of Pt(IV) Complexes With Axial Acetato Ligands by Ascorbic Acid; Comparison of Experimental and Computational Tools

open access: yesChemistry – A European Journal, EarlyView.
Comparison of experimental and calculated rate constants for reduction of selected Pt(IV) complexes by ascorbic acid (AA) in water solution at pH = 7. ABSTRACT In the present work, the reduction mechanism of several Pt(IV) complexes bearing two axial acetato ligands by ascorbic acid (AA) was investigated.
Ondřej Tichý   +3 more
wiley   +1 more source

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