Results 161 to 170 of about 663,798 (288)

Copper‐based Materials for Photo and Electrocatalytic Process: Advancing Renewable Energy and Environmental Applications

Advanced Functional Materials, EarlyView.
Cu‐based catalysts as a cornerstone in advancing sustainable energy technologies are fully reviewed in this manuscript, highlighting their potential in photo‐ and electrocatalysis. It includes metallic copper, copper oxides, copper sulfides, copper halide perovskites, copper‐based metal–organic frameworks (MOFs), and covalent organic frameworks (COFs),
Jéssica C. de Almeida, Yanjie Wang, Thais A. Rodrigues, Paulo H. H. Nunes, Vagner R. de Mendonça, Paulo H. E. Falsetti, Leticia V. Savazi, Tao He, Alexandra V. Bardakova, Aida V. Rudakova, Jie Tian, Alexei V. Emeline, Osmando F. Lopes, Antonio Otavio T. Patrocínio, Jia Hong Pan, Caue Ribeiro, Detlef W. Bahnemann   +16 more
wiley   +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

Computational Chemistry Experiment Possibilities

Bartłomiej M. Szyja, Danny E. P. Vanpoucke   +1 more
openalex   +2 more sources

Ionization characteristics and chemical influences of aspartic acid residue 158 of papain and caricain determined by structure-related kinetic and computational techniques: multiple electrostatic modulators of active-centre chemistry [PDF]

, 2000
Michael A. Noble, Sheraz Gul, Chandra Verma, K Brocklehurst   +3 more
openalex   +1 more source

Copper Doping Enhances the Activity and Selectivity of Atomically Precise Ag44 Nanoclusters for Photocatalytic CO2 Reduction

Advanced Functional Materials, EarlyView.
By a simple anti‐Galvanic reaction, up to six copper atoms could be preferably doped into the Ag2(SR)5 staple motifs and Ag20 dodecahedral shell of an atomically precise Ag44(SR)30 nanocluster. When anatase TiO2 is used as substrate, the (AgCu)44/TiO2 photocatalyst exhibited much improved activity in photocatalytic CO2 reduction compared to Ag44/TiO2 ...
Ye Liu, Xi Zheng, Xiufan Liu, Tengyuan Gao, Nicola Pinna, Yu Wang   +5 more
wiley   +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

Enhancing CoFe Catalysts with V2CTX MXene‐Derived Materials for Anion Exchange Membrane Electrolyzers

Advanced Functional Materials, EarlyView.
MXene dervied CoFe composites show increased initial Oxygen Evolution Reaction (OER) activity compared to the pure CoFe and MXene in an Anion Exchange Membrane device. Vanadium vacancies in the MXene plays a role in increased OER activity and hinders Fe leaching in the AEM device over using the pure V2C MXene as a support material for the CoFe ...
Can Kaplan, Karuppasamy Dharmaraj, Thorsten Schultz, Leiqiang Qin, Ningjun Chen, Danielle A. Douglas‐Henry, Bastian Schmiedecke, Merve Buldu‐Akturk, Axel Zuber, Iris Dorbandt, Maximilian Reinhardt, Yael Rodriguez‐Ayllon, Yan Lu, Valeria Nicolosi, Norbert Koch, Johanna Rosen, Michelle P. Browne   +16 more
wiley   +1 more source

Perspective on Theoretical Modeling of Soft Molecular Machines and Devices: A Fusion of Data-Driven Approaches with Traditional Computational Chemistry Algorithms. [PDF]

ChemistryOpen
Zazza C, Sanna N, Borocci S, Grandinetti F.   +3 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

The use of computational chemistry in the studies of chemical processes involved in electrospray ionization

, 2009
Ricardo Vessecchi Lourenço
openalex   +1 more source