orbital graph
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scholarly journals Orbital graph convolutional neural network for material property prediction

2020 ◽  
Vol 4 (9) ◽  
Author(s):  
Mohammadreza Karamad ◽  
Rishikesh Magar ◽  
Yuting Shi ◽  
Samira Siahrostami ◽  
Ian D. Gates ◽  
...  
Keyword(s):  
Neural Network ◽  
Convolutional Neural Network ◽  
Material Property ◽  
Property Prediction ◽  
Orbital Graph ◽  
Material Property Prediction

Applications of the molecular orbital graph theory (XI)

2000 ◽  
Vol 43 (1) ◽  
pp. 17-26
Author(s):  
Hu Shixian ◽  
Liu Xiaoping ◽  
Zhao Honggang ◽  
Cao Yang
Keyword(s):  
Graph Theory ◽  
Molecular Orbital ◽  
Orbital Graph

Testing the atomic orbital graph as a basis for QSPR modeling of the boiling points of haloalkanes

1999 ◽  
Vol 40 (6) ◽  
pp. 950-958 ◽  
Author(s):  
A. A. Toropov ◽  
A. P. Toropova ◽  
N. L. Voropaeva ◽  
I. N. Ruban ◽  
S. Sh. Rashidova
Keyword(s):  
Atomic Orbital ◽  
Boiling Points ◽  
Qspr Modeling ◽  
Orbital Graph
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