Results 151 to 160 of about 672,138 (280)

Bioinformatics and computational chemistry approaches to explore the mechanism of the anti-depressive effect of ligustilide. [PDF]

Sci Rep, 2023
Zhang K, Zhang C, Teng X, Wang K, Chen M.   +4 more
europepmc   +1 more source

Selective Benzene Capture by Metal‐Organic Frameworks

Advanced Functional Materials, EarlyView.
Metal‐organic frameworks (MOFs) hold significant potential for capturing benzene from air emissions and hydrocarbon mixtures in liquid phases. This capability stems from their precisely engineered structures, versatile chemistries, and diverse binding interactions.
Zongsu Han, Ankit Mondal, Jiatong Huo, Yihao Yang, Hong‐Cai Zhou   +4 more
wiley   +1 more source

Unraveling the thermal decomposition and chemical ionization of methionine using ion mobility spectrometry and computational chemistry. [PDF]

Sci Rep
Amiri M, Vahedpour M, Bahrami H, Douroudgari H.   +3 more
europepmc   +1 more source

Computational pharmacology and computational chemistry of 4-hydroxyisoleucine: Physicochemical, pharmacokinetic, and DFT-based approaches. [PDF]

Front Chem, 2023
Ahmad I, Kuznetsov AE, Pirzada AS, Alsharif KF, Daglia M, Khan H.   +5 more
europepmc   +1 more source

Fast‐Responding O2 Gas Sensor Based on Luminescent Europium Metal‐Organic Frameworks (MOF‐76)

Advanced Functional Materials, EarlyView.
Luminescent MOF‐76 materials based on Eu(III) and mixed Eu(III)/Y(III) show rapid and reversible changes in emission intensity in response to O2 with very short response times. The effect is based on triplet quenching of the linker ligands that act as photosensitizers. Average emission lifetimes of a few milliseconds turn out to be mostly unaffected by
Zhenyu Zhao, Christian Weinberger, Jakob Steube, Matthias Bauer, Martin Brehm, Michael Tiemann   +5 more
wiley   +1 more source

Computational Chemistry: Abstracts 507-518

CHIMIA, 2011
Swiss Chemical Society
doaj   +1 more source

Absorption Spectrum of Hydroperoxymethyl Thioformate: A Computational Chemistry Study. [PDF]

Molecules
Catalán-Fenollosa D, Carmona-García J, Borrego-Sánchez A, Saiz-Lopez A, Roca-Sanjuán D.   +4 more
europepmc   +1 more source

Exploring the Supramolecular Interactions and Thermal Stability of Dapsone:Bipyridine Cocrystals by Combining Computational Chemistry with Experimentation. [PDF]

Cryst Growth Des, 2023
Racher F, Petrick TL, Braun DE.
europepmc   +1 more source

Electroactive Metal–Organic Frameworks for Electrocatalysis

Advanced Functional Materials, EarlyView.
Electrocatalysis is crucial in sustainable energy conversion as it enables efficient chemical transformations. The review discusses how metal–organic frameworks can revolutionize this field by offering tailorable structures and active site tunability, enabling efficient and selective electrocatalytic processes.
Irena Senkovska, Yutong Luo, Ruyan Zhao, Jianjun Zhang, Mingchao Wang, Xinliang Feng, Eike Brunner, Stefan Kaskel   +7 more
wiley   +1 more source

Session Computational Chemistry

CHIMIA, 2015
David Spichiger
doaj   +2 more sources