Results 271 to 280 of about 974,940 (289)

Descriptor‐Driven Design of Dual‐Active‐Site Electrocatalysts for Ammonia Synthesis

Advanced Energy Materials
Abstract The electrocatalytic nitrate reduction reaction (NO 3 RR) offers a sustainable route to convert nitrate (NO 3 − ) pollutants into value‐added ammonia (NH 3 ). However,
Chaoqun Ma, Fukai Feng, Huaifang Zhang, Gang Lin, Jing Xia, Xiaojuan Zhu, Xiao Ma, Caihong He, Sumei Han, Yingxue Du, Wenbin Cao, Xiangmin Meng, Song Yang, Lijie Zhu, An‐Liang Wang, Qipeng Lu   +15 more
openaire   +1 more source

INDICE DUAL DE DESCRIPTORES. Parte I

Gayana Miscelanea, 1973
J. J. Duek, Miguel Ramírez, Olga León
openaire   +1 more source

New advances in conceptual-DFT: an alternative way to calculate the Fukui function and dual descriptor

Journal of Molecular Modeling, 2019
An alternative way of calculating the Fukui function and the partial derivative of second order of the electronic density with respect to the number of electrons N is presented, the new formulas agree with the usual ones but only in cases without degeneracy.
openaire   +2 more sources

Dual descriptor analysis of cetylpyridinium modified carbon paste electrodes for ascorbic acid sensing applications

Journal of Molecular Liquids, 2021
Roberto Flores-Moreno, Shashanka R, Gururaj Kudur Jayaprakash   +2 more
exaly  

Universal LiDAR Odometry and Mapping With Dual Channel Descriptor

IEEE Transactions on Intelligent Transportation Systems
Runbang Zhang, Shengjie Huang, Dengxiang Chang, Shuo Liu, Manjiang Hu, Xiaohui Qin   +5 more
openaire   +1 more source

Theoretical determination of a reaction intermediate: Fukui function analysis, dual reactivity descriptor and activation energy

Journal of Molecular Structure, 2021
Klaus Bieger, Americo Cuchillo
exaly  

Dual-Factor WBAN Enhanced Authentication System Based on Iris and ECG Descriptors

IEEE Sensors Journal, 2022
Demin Jiang, Guanghe Zhang, Oluwarotimi Williams Samuel, Fanghua Liu, Hui Xiao   +4 more
openaire   +1 more source

A conceptual DFT study of hydrazino peptides: Assessment of the nucleophilicity of the nitrogen atoms by means of the dual descriptor Δf(r)

Computational and Theoretical Chemistry, 2008
Alexandre Hocquet, Brigitte Jamart-Grégoire, Christophe Morell   +2 more
exaly  

Dual descriptor data for object recognition in low light conditions

2023
LEE SUNG CHUN, QIAN GANG, TAHERI SIMA, BONDUGULA SRAVANTHI, BEACH ALLISON   +4 more
openaire   +2 more sources

The importance of diffuse functions in basis sets to produce reliable 3D pictures of dual descriptor

Chemical Physics Letters, 2019
Jorge Ignacio Martínez-Araya
exaly