Results 131 to 140 of about 65,509 (236)

Ab Initio Molecular Dynamics Study of Quadrupolar Spin Relaxation in an Ionic Liquid

Journal of Computational Chemistry, Volume 47, Issue 3, 30 January 2026.
This study presents a methodology for describing the relaxation of nuclear spins (with I > 1/2), applicable to ionic liquids of a general nature. Based on ab initio molecular dynamics, we demonstrate the importance of explicit solvation in calculating the relaxation times of the quadrupolar mechanism.
Luciano N. Vidal, Lucas C. Ducati, Jochen Autschbach   +2 more
wiley   +1 more source

Design of Molecular Crystals toward Crystalline Molecular Machines: Rotors, Gears, and Motors. [PDF]

ACS Nanosci Au
Jiang P, Jin M.
europepmc   +1 more source

Unsymmetrical β‐Fused Blatter Radical Zinc Phthalocyanines

Chemistry – A European Journal, Volume 32, Issue 4, 23 January 2026.
Herein, we report the first synthesis of a new class of β‐fused Blatter–Zn phthalocyanines featuring a persistent radical π‐system, π–π‐driven crystal packing, and SOMO‐centered redox behavior. Single‐crystal X‐ray diffraction shows packing motifs dominated by centrosymmetric π‐π dimers.
Adrián Hernández, Georgia A. Zissimou, Javier Ortiz, Andreas Kourtellaris, Christos P. Constantinides, Daniel B. Lawson, Ziqi Hu, Eugenio Coronado, Panayiotis A. Koutentis, Ángela Sastre‐Santos   +9 more
wiley   +1 more source

Recent advances in TiO₂ modification for improvement in photocatalytic purification of indoor VOCs. [PDF]

RSC Adv
Yu L, Duan Y, Wang D, Liang Z, Liang C, Wang Y.   +5 more
europepmc   +1 more source

Symmetrical Imidazo[1,5‐a]pyridine Dimers as Novel Organic Light Emitters: Bidirectional Synthesis and Photoluminescence Characterization

European Journal of Organic Chemistry, Volume 29, Issue 3, January 22, 2026.
Imidazo[1,5‐a]pyridine dimers are synthesized via a bidirectional strategy and characterized by single‐crystal X‐ray diffraction. The key substitution position for tuning optical properties is identified. Photophysical studies, supported by density functional theory calculations, show fluorescence in the 490–580 nm range, with the most planar system ...
Olesia Vasylets, Niclas Kulhanek, Michael Kirchner, Richard Göttlich   +3 more
wiley   +1 more source

Molecular arrangements in the first monolayer of Cu-phthalocyanine on In₂O₃(111).

J Mater Chem C Mater
Blatnik MA, Calcinelli F, Jeindl A, Eder M, Schmid M, Čechal J, Diebold U, Jacobson P, Hofmann OT, Wagner M.   +9 more
europepmc   +1 more source

Syntheses and Structures of Water‐Soluble Model Complexes Related to the Active Site of Molybdenum and Tungsten‐Dependent Oxidoreductases

Zeitschrift für anorganische und allgemeine Chemie, Volume 652, Issue 1, January 6, 2026.
Complex salts with potassium counter cations and bisdithiolene oxido molybdate or tungstate anions are water tolerant and soluble in purely aqueous medium. Four different synthetic routes to water‐soluble complexes of the type K2[MOx(dt)2] (M = Mo, W; dt = ene‐1,2‐dithiolate, x = 1, 2) applicable to different ligand precursors are presented.
Sebastian Pätsch, Anna‐Lena Land, Caroline Hannah Paul, Benedict Josua Elvers, Marlen Redies, Christian Fischer, Carola Schulzke   +6 more
wiley   +1 more source

Cobalt(II) Single‐Chain Magnet With Strong Anisotropy and Ferromagnetic IntraChain Coupling

Chemistry – A European Journal, Volume 32, Issue 1, 2 January 2026.
A new high‐performance single‐chain magnet (Ueff = 560 K) exhibits strong magnetic anisotropy and ferromagnetic intrachain interactions using redox‐active bridging ligands. ABSTRACT Co(II)‐based coordination polymer is reported as a new benchmark single‐chain magnet (SCM), exhibiting an energy barrier (Ueff) of 560 K and a blocking temperature (TB) of ...
Yongbing Shen, Mengxing Cui, Hiroyoshi Ohtsu, Olaf Stefanczyk, Masahiro Yamashita, Shin‐ichi Ohkoshi   +5 more
wiley   +1 more source

Thermal-mediated modulation of binary supramolecular self-assembly from phase separation to co-crystallization at the liquid-solid surface. [PDF]

Chem Sci
Chen F, He J, Shaheen A, Hu Y, Lee SL.
europepmc   +1 more source

Enhancing Metal‐Support Interactions of Ru Catalysts via Relaxation of Oxygen Vacancies for Hydrogen Production

Advanced Functional Materials, Volume 36, Issue 4, 12 January 2026.
Designing stable Ru nanoparticle catalyst remains a critical challenge in electrochemical applications. Here, a strategy is presented to stabilize Ru catalysts by leveraging Ce‐doped ZrO2 supports (ZrCeO2‐x), which enhance catalyst durability and activity through electronic metal‐support interactions and stabilized oxygen vacancies.
Mansu Kim, Jonghwan Park, Hyuk Choi, Sohui Kim, Injoon Jang, Hyun You Kim, Namgee Jung, Sung Jong Yoo, Joseph T. Hupp, Dongmok Whang   +9 more
wiley   +1 more source