Results 131 to 140 of about 4,874,213 (359)
Intermolecular Interaction Analyses on SARS-CoV-2 Receptor Binding Domain and Human Angiotensin-Converting Enzyme 2 Receptor-Blocking Antibody/peptide Using Fragment Molecular Orbital Calculation [PDF]
, 2021 Kazuki Watanabe +7 more
openalex +1 more source
Advanced Functional Materials, EarlyView.This work reports the self‐assembly of a pyrene derivative into two distinct nanostructures and their application in visible‐light photocatalysis. The two nanostructures exhibit completely different yet complementary photocatalytic activities, promoting either H2 or H2O2 evolution.
Marianna Barbieri +6 more
wiley +1 more source
Kuwait Journal of Science, 2017 The present study reports a novel Schiff base ‘Benzyl2-(4-(bis(2 chloroethyl)amino)benzylidene)hydrazinecarbodithioate’ and its characterization by infra red (IR), nuclear magnetic resonance (NMR), mass spectral methods with its density functional ...
Bhuvanendra Singh +3 more
doaj
Advanced Functional Materials, EarlyView.The chemical composition and band alignment are systematically investigated at the TiO2/InP heterointerface. Thin TiO2 films are deposited by ALD on atomically ordered, P‐terminated p‐InP(100). By combining UPS, XPS, and ab initio molecular dynamics, the atomistic structure and electronic alignment are revealed.
Mohammad Amin Zare Pour +11 more
wiley +1 more source
Bimetallic Nanoparticles as Cocatalysts for Photocatalytic Hydrogen Production
Advanced Functional Materials, EarlyView.Recent developments have introduced bimetallic nanoparticles as effective cocatalysts for photocatalytic systems. This review explores the rapidly expanding research on bimetallic cocatalysts for photocatalytic production of hydrogen, emphasizing the creation of carrier‐selective contacts, localized surface plasmon resonance effects, methodologies for ...
Yufen Chen +4 more
wiley +1 more source
Advanced Functional Materials, EarlyView.This study investigates H4TBAPy‐based metal–organic frameworks (MOFs) ‐ NU‐1000, NU‐901, SrTBAPy, and BaTBAPy ‐ for multiphoton absorption (MPA) performance. It observes topology‐dependent variations in the 2PA cross‐section, with BaTBAPy exhibiting the highest activity.
Simon N. Deger +10 more
wiley +1 more source
Advanced Functional Materials, EarlyView.Controlled syntheses of lanthanide coordination polymers based on the dihydroxybenzoquinone (DHBQ) organic linker afforded large single crystals of Ln‐DHBQ CPs (Ln = Yb, Nd). A novel structural variant of Yb‐DHBQ is identified by means of single crystal diffraction analysis.
Marina I. Schönherr +7 more
wiley +1 more source
, 2014 Citation: 'bonding molecular orbital' in the IUPAC Compendium of Chemical Terminology, 3rd ed.; International Union of Pure and Applied Chemistry; 2006. Online version 3.0.1, 2019. 10.1351/goldbook.BT07007 • License: The IUPAC Gold Book is licensed under Creative Commons Attribution-ShareAlike CC BY-SA 4.0 International for individual terms.
openaire +1 more source
Advanced Functional Materials, EarlyView.A cerium oxide‐carbon nanohybrid catalyst is synthesized via two distinct routes and is integrated into H‐type cells and gas diffusion layers (GDLs) to enhance electrochemical performance. Structural variations significantly affect performance, with the solvothermal sample exhibiting higher current densities.
Alessia Pollice +9 more
wiley +1 more source
An MO theory of the cubic field splitting of 3d5 6S ions in II-IV compounds of Td symmetry [PDF]
Molecular orbital techniques used to find cubic field splitting 3a of certain ions in periodic group II-VI compounds of T sub d ...
Azarbayejani, G. H., Kikuchi, C.
core +1 more source