property decomposition
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scholarly journals Decomposition of molecular properties

2019 ◽  
Vol 21 (5) ◽  
pp. 2251-2270 ◽  
Author(s):  
Hans Ågren ◽  
Ignat Harczuk ◽  
Olav Vahtras
Keyword(s):  
Quantum Mechanics ◽  
Recent Work ◽  
Quantum Chemical ◽  
Decomposition Techniques ◽  
Chemical Methods ◽  
Molecular Mechanics Calculations ◽  
Large Molecules ◽  
Quantum Chemical Methods ◽  
Property Decomposition ◽  
Topical Applications

We review recent work on property decomposition techniques using quantum chemical methods and discuss some topical applications in terms of quantum mechanics-molecular mechanics calculations and the constructing of properties of large molecules and clusters.

Learning-oriented Property Decomposition for Automated Generation of Directed Tests

2014 ◽  
Vol 30 (3) ◽  
pp. 287-306 ◽  
Author(s):  
Mingsong Chen ◽  
Xiaoke Qin ◽  
Prabhat Mishra
Keyword(s):  
Automated Generation ◽  
Property Decomposition

Learning-Oriented Property Decomposition Approaches

2012 ◽  
pp. 169-184
Author(s):  
Mingsong Chen ◽  
Xiaoke Qin ◽  
Heon-Mo Koo ◽  
Prabhat Mishra
Keyword(s):  
Property Decomposition
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