Results 311 to 320 of about 74,344 (325)

Molecular Design Using the Signature Molecular Descriptor

Chemical Engineering Education, 2019
John A. Krew, Donald P. Visco, Jr., Phillip D. Bertke   +2 more
openaire   +1 more source

Activity Descriptor Identification for Oxygen Reduction on Nonprecious Electrocatalysts: Linking Surface Science to Coordination Chemistry

Journal of the American Chemical Society, 2013
Nagappan Ramaswamy, Urszula Tylus, Qingying Jia   +2 more
exaly  

Molecular Descriptors for Chemoinformatics

2009
Roberto Todeschini, Viviana Consonni
openaire   +1 more source

Identification of Surface Reactivity Descriptor for Transition Metal Oxides in Oxygen Evolution Reaction

Journal of the American Chemical Society, 2016
Hua Bing Tao, Jiazang Chen, Hong Bin Yang   +2 more
exaly  

Descriptor Selection Methods in Quantitative Structure–Activity Relationship Studies: A Review Study

Chemical Reviews, 2013
Mohsen Shahlaei
exaly  

eg occupancy as an effective descriptor for the catalytic activity of perovskite oxide-based peroxidase mimics

Nature Communications, 2019
Xiaoyu Wang, Xuejiao J Gao, Changda Wang
exaly  

Big Data of Materials Science: Critical Role of the Descriptor

Physical Review Letters, 2015
Luca M Ghiringhelli, Jan Vybiral, Sergey V Levchenko   +2 more
exaly  

The Signature Molecular Descriptor in Molecular Design

2016
D.P. Visco, J.J. Chen
openaire   +1 more source

Disordered enthalpy–entropy descriptor for high-entropy ceramics discovery

Nature
Simon Divilov, Hagen Eckert, Rico Friedrich   +2 more
exaly  

Descriptors from Molecular Geometry

2003
TODESCHINI, ROBERTO, CONSONNI, VIVIANA
openaire   +1 more source