Results 141 to 150 of about 7,677 (250)

Efficient Prediction of Multicomponent Adsorption Isotherms and Enthalpies of Adsorption in MOFs Using Classical Density Functional Theory. [PDF]

J Phys Chem B
Thiele N, Teh TW, Bursik B, Granderath M, Bauer G, Dufour-Décieux V, Rehner P, Stierle R, Bardow A, Hansen N, Gross J.   +10 more
europepmc   +1 more source

Changing N^C^O to C^N^O Coordination in Cyclometalated Pt(II) and Pd(II) Complexes Modulates Stability and Emission Characteristics: Toward Brighter Versatility

Chemistry – A European Journal, EarlyView.
A new class of cyclometalated metal complexes with pincer luminophores (C^N^O and N^C^O) is reported. They unite high photoluminescence efficiencies in liquid solutions at r.t. with tunable colors across the visible spectrum and convenient synthetic accessibility.
Joschua Lüke, Yokari Godinez‐Loyola, Alexander Hepp, Jutta Kösters, Cristian A. Strassert   +4 more
wiley   +1 more source

Simultaneous Construction of Free Energy Surfaces via Multisite λ Dynamics and Umbrella Sampling. [PDF]

J Chem Theory Comput
Lai TT, Brooks CL.
europepmc   +1 more source

Asymmetric Diphosphane Dioxides With A–π–A–π’–D Scaffolds for High‐Purity Deep‐Blue Luminescence

Chemistry – A European Journal, EarlyView.
Diphosphane dioxide‐based luminophores with donor–π–acceptor– π’–acceptor scaffold enable efficient deep‐blue emission from tunable charge‐transfer states affording high photoluminescence up to 95%. OLEDs reach EQE 4.9%, aided by triplet–triplet annihilation, highlighting a practical route to high‐performance blue emitters.
Eetu Hakkarainen, Zong‐Ying Liu, Jhon Sebastian Oviedo Ortiz, Nicolas Vanthuyne, Jeanne Crassous, Ondřej Mrózek, Fabien B. L. Cougnon, Wen‐Yi Hung, Pi‐Tai Chou, Igor O. Koshevoy, Andrey Belyaev   +10 more
wiley   +1 more source

Evaluation and Comparison of the UV-LED Action Spectra for Photochemical Disinfection of Coliphages and Human Pathogenic Viruses. [PDF]

Microorganisms
Mawatari K, Onoda Y, Kadomura-Ishikawa Y, Emoto T, Yamaguchi M, Hirano N, Toda S, Matsubara M, Uebanso T, Aizawa T, Yamauchi S, Fujikawa Y, Tanaka T, Li X, Suarez-Lopez E, Kuhn RJ, Blatchley ER, Takahashi A.   +17 more
europepmc   +1 more source

Modular One‐Pot Access to π‐Expanded Tetrakis(Phenothiazinyl)‐Silanes With Broadly Tunable Redox and Emission Properties

Chemistry – A European Journal, EarlyView.
A library of 21 tetrakis(phenothiazinyl)‐substituted silanes with broadly variable substituent decoration, which are fully reversible multistage redox systems with intense tunable emission from deep blue to yellow–green (441–533 nm), was rapidly synthesized by bromine–lithium exchange/borylation–Suzuki coupling of tetrakis(4‐bromophenyl)silane or by ...
Thomas P. M. Merke, Lysander Presser, Leonard Karl, Christian Ganter, Thomas J. J. Müller   +4 more
wiley   +1 more source

Inversion of the X-ray restrained wavefunction equations: a first step towards the development of exchange-correlation functionals based on X-ray data. [PDF]

J Appl Crystallogr
Genoni A, Sironi M.
europepmc   +1 more source

Dioxygen Reduction at a Cu(I) Complex Supported by a Macrocyclic N3O Ligand System

Chemistry – A European Journal, EarlyView.
A non‐reactive [CuI(14‐TMC)]+ complex is transformed to an efficient catalyst [CuI(14‐TMCO)]+ (TMCO = 4,8,12‐trimethyl‐1‐oxa‐4,8,12‐triazacyclotetradecane) for 4e−/4H+ reduction of O2 by N → O substitution. ABSTRACT CuI(14 TMCO) (1), involving a N3O‐macrocycle, reacts with O2 at cryogenic temperatures to yield an end‐on peroxodicopper(II) species.
Maximilian Schütze, Dibya Jyoti Barman, Christian Lorent, Kallol Ray   +3 more
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

Chemistry – 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, Stéphane A. Baudron, M. Carla Aragoni, Vito Lippolis, Anna Pintus, Enrico Podda, Massimiliano Arca   +6 more
wiley   +1 more source

Adsorption Studies of Dilute Krypton and Xenon from Nitrogen on SBMOF‑1 and Activated Charcoal for Applications in Isotope Harvesting. [PDF]

J Phys Chem C Nanomater Interfaces
Bodnar VS, Kleinfeldt CR, Kim SH, Catarineu NR, Vyas CK, Visser A, Severin GW.   +6 more
europepmc   +1 more source