Results 191 to 200 of about 663,798 (288)

Non Thermal‐Driven Photocatalytic Ammonia Decomposition at Near‐Room Temperature on a Plasmonic Nanocone Array

Advanced Functional Materials, EarlyView.
Plasmonic photocatalytic ammonia decomposition occurs at near‐room temperature on a plasmonic Au nanocone array under visible light illumination. The nanostructure efficiently harnesses plasmonic modes, leading to increased reaction rates upon plasmon decay.
Thanh‐Lam Bui, S. M. Hossein Hejazi, Jan Navrátil, Hana Kmentová, Petr Bábor, Olivier Henrotte, Luca Mascaretti, Matteo Bisetto, Stephen K. Sanders, Andrea Schirato, Michal Otyepka, Piotr Błoński, Tiziano Montini, Radek Zboril, Paolo Fornasiero, Alessandro Alabastri, Alberto Naldoni, Stepan Kment   +17 more
wiley   +1 more source

Editorial: Advances in Density Functional Theory and Beyond for Computational Chemistry. [PDF]

Front Chem, 2021
Hu W, Chen M.
europepmc   +1 more source

Micropatterned Biphasic Printed Electrodes for High‐Fidelity on‐Skin Bioelectronics

Advanced Functional Materials, EarlyView.
Micropatterned biphasic printed electrodes achieve unprecedented skin conformity and low impedance by combining liquid‐metal droplets with microstructured 3D lattices. This scalable approach enables high‐fidelity detection of ECG, EMG, and EEG signals, including alpha rhythms from the forehead, with long‐term comfort and stability.
Manuel Reis Carneiro, Telmo Lopes, André F. Silva, Carmel Majidi, Mahmoud Tavakoli   +4 more
wiley   +1 more source

Computational Chemistry: Abstracts 82-106

CHIMIA, 2005
Swiss Chemical Society
doaj   +1 more source

Harnessing thiazole chemistry for antifungal strategies through an experimental and computational chemistry approach: anti-biofilm, molecular docking, dynamics, and DFT analysis. [PDF]

RSC Adv
Shinde RA, Adole VA, Patil RH, Khairnar BB, Jagdale BS, Almutairi TM, Patel H, Islam MS, Ahmad I, Kumar AR, Selvaraj S, Pawar TB, Alam M.   +12 more
europepmc   +1 more source

Reactivity and binding mode of disulfiram, its metabolites, and derivatives in SARS-CoV-2 PL^pro: insights from computational chemistry studies. [PDF]

J Mol Model, 2022
Nogara PA, Omage FB, Bolzan GR, Delgado CP, Orian L, Rocha JBT.   +5 more
europepmc   +1 more source

The Parser Converter Loader: An Implementation of the Computational Chemistry Output Language (CCOL)

, 2000
Donald Abel
openalex   +2 more sources

Controlled Aggregation of Pyrene‐Based Supramolecular Nanostructures for Light‐Driven Switchable H2 or H2O2 Production

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, Matilde Doardo, Ilaria Fortunati, Anna Fortunato, Elisabetta Collini, Francesca Arcudi, Luka Ðorđević   +6 more
wiley   +1 more source

Computational Chemistry: Abstracts 98-127

CHIMIA, 2006
Swiss Chemical Society
doaj   +1 more source

Hamiltonian Computational Chemistry: Geometrical Structures in Chemical Dynamics and Kinetics. [PDF]

Entropy (Basel)
Farantos SC.
europepmc   +1 more source