Results 171 to 180 of about 7,132 (302)

Supramolecular Host‐Guest Complexation Dynamics by Cost‐Efficient Electronic Structure Methods

Chemistry – A European Journal, EarlyView.
We present a cost‐effective multilevel workflow for the kinetic profiling of host–guest systems, illustrated with cucurbit[6]uril and alkylammonium cations. The method combines rapid docking and reaction path searches at the semi‐empirical level, with refinement of the results using modern density functional theory, accurately reproducing experiment ...
Thomas Gasevic, Christoph Plett, Lukas Wittmann, Iago Neira, Carlos Peinador, Marcos D. García, Andreas Hansen   +6 more
wiley   +1 more source

Filaments of light dynamically isolate a single attosecond pulse. [PDF]

Nat Commun
Ghafur O.
europepmc   +1 more source

Dual Acid Responses of Stable Luminescent Diphenylpyridylmethyl Radicals With Additional Pyridyl Groups

Chemistry – A European Journal, EarlyView.
To expand the acid‐responsive behavior of diphenylpyridylmethyl stable luminescent radicals, additional pyridyl groups were introduced. Dual acid responsiveness was observed, involving both the newly incorporated pyridyl groups and the PyBTM moieties.
Yohei Hattori, Kojiro Nakagawa, Kingo Uchida, Gwénaël Rapenne   +3 more
wiley   +1 more source

Multistability, Chaos, and Control in the Deterministic and Stochastic Dynamics of Noise-Driven Nonlinear Oscillators. [PDF]

Entropy (Basel)
Jhangeer A, Abdelkader A.
europepmc   +1 more source

Coordinative‐Guest‐Triggered Dimensional Crossover in a Metal–Organic Framework With Rigid Metal–Oxo Rods

Chemistry – A European Journal, EarlyView.
We report a reversible structural phase transition in a metal–organic framework (MOF) triggered by the exchange of coordinative guest molecules. This MOF consists of rigid 1D Pb–O rods as building units, forming a 3D framework with 1D pores. Guest exchange induces pronounced changes in both the Pb–O rod structure and the dimensionality of the framework.
Keisuke Ishikawa, Kazuya Otsubo
wiley   +1 more source

Magic cancellation point for vibration resilient ultrastable microwave signal synthesis. [PDF]

Nat Commun
Loh W, Gray D, Maxson R, Kharas D, Plant J, Juodawlkis PW, Sorace-Agaskar C, Yegnanarayanan S.   +7 more
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

DFT based photophysical assessment of 2-substituted-3-(pyridin-2-yl)-benzo-[d][1,3]-azaphosphole P-oxide for organic optoelectronic applications. [PDF]

Sci Rep
Shoaib MM, Iftikhar F, Mahmood T, Ayub K, Niaz B.   +4 more
europepmc   +1 more source

S‐Doped Carbon Nitride Thin Films From a Triazole Precursor

Carbon Innovation, EarlyView.
Sulfur‐functionalized carbon nitride thin films are synthesized via low‐temperature chemical vapor deposition using a triazole‐derived precursor. Tunable sulfur incorporation modulates electronic and optical properties and enables efficient visible‐light photocatalysis with high conversion and selectivity.
Yen‐Han Wang, Enis Oğuzhan Eren, Baris Kumru, Paolo Giusto   +3 more
wiley   +1 more source

Structural tuning of diclofenac for enhanced medicinal efficacy and reduced adverse effects: an integrating computational validation. [PDF]

RSC Adv
Khalil I, Zaman S, Aliza IJ, Rahman Tanny M, Hasan T, Uzzaman M.   +5 more
europepmc   +1 more source