Results 271 to 280 of about 1,051,029 (290)

Condensed-to-Bond Dual Descriptor for the Analysis of Electron Density Rearrangement in π-Conjugated Compounds

Journal of Mathematical Chemistry
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Ricardo Pino-Rios
exaly   +2 more sources

Image retrieval using dual-weighted deep feature descriptor

International Journal of Machine Learning and Cybernetics, 2023
Zhou Lu, Guanghai Liu 0001, Fen Lu, Bo-Jian Zhang   +3 more
openaire   +1 more source

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

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

INDICE DUAL DE DESCRIPTORES. Parte I

Gayana Miscelanea, 1973
J. J. Duek, Miguel Ramírez, Olga León
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, Américo Cuchillo
exaly  

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

Nitrogen Activation to Reduction on a Recyclable V-SAC/BN-Graphene Heterocatalyst Sifted Through Dual and Multiphilic Descriptors

Journal of Colloid and Interface Science, 2021
Sailaja Krishnamurty, Ashakiran Maibam
exaly  

Why Is the Dual Descriptor a More Accurate Local Reactivity Descriptor Than Fukui Functions?

Journal of Mathematical Chemistry, 2015
Jorge Ignacio Martínez-Araya
exaly