Results 191 to 200 of about 649,054 (286)
Reactivity and binding mode of disulfiram, its metabolites, and derivatives in SARS-CoV-2 PLpro: insights from computational chemistry studies. [PDF]
J Mol Model, 2022 Nogara PA +5 more
europepmc +1 more source
Quantum Emitters in Hexagonal Boron Nitride: Principles, Engineering and Applications
Advanced Functional Materials, EarlyView.Quantum emitters in hexagonal boron nitride have emerged as a promising candidate for quantum information science. This review examines the fundamentals of these quantum emitters, including their level structures, defect engineering, and their possible chemical structures.
Thi Ngoc Anh Mai +8 more
wiley +1 more source
CO<sub>2</sub> and SO<sub>2</sub> Capture by Cryptophane-111 Porous Liquid: Insights from Molecular Dynamics Simulations and Computational Chemistry. [PDF]
Nanomaterials (Basel)Collado P +2 more
europepmc +1 more source
Which Chromium–Sulfur Compounds Exist as 2D Material?
Advanced Functional Materials, EarlyView.2D chromium sulfides synthesized using molecular beam epitaxy on graphene. Structural characterization reveals two novel 2D materials, Cr2S3‐2D, which lacks a direct bulk counterpart, and Cr223S${\rm Cr}_{2\frac{2}{3}}{\rm S}$4‐2D, a minimum thickness version of Cr5S6. However, attempts to synthesize CrS2 are unsuccessful. Both new 2D phases are stable
Affan Safeer +5 more
wiley +1 more source
Hamiltonian Computational Chemistry: Geometrical Structures in Chemical Dynamics and Kinetics. [PDF]
Entropy (Basel)Farantos SC.
europepmc +1 more source
Molecularly Imprinted Nanoparticles towards MMP9 for Controlling Cardiac ECM after Myocardial Infarction: A Predictive Experimental-Computational Chemistry Investigation. [PDF]
Biomedicines, 2022 Villano A +8 more
europepmc +1 more source