adaptive natural density partitioning
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Chemical bonding analysis of excited states using the adaptive natural density partitioning method

2019 ◽  
Vol 21 (18) ◽  
pp. 9590-9596 ◽  
Author(s):  
Nikolay V. Tkachenko ◽  
Alexander I. Boldyrev
Keyword(s):  
Chemical Bond ◽  
Excited States ◽  
Chemical Bonding ◽  
Bonding Analysis ◽  
Novel Approach ◽  
Natural Density ◽  
Adaptive Natural Density Partitioning

A novel approach to chemical bond analysis for excited states has been developed.

Deciphering aromaticity in porphyrinoids via adaptive natural density partitioning

2014 ◽  
Vol 12 (32) ◽  
pp. 6145-6150 ◽  
Author(s):  
Alexander S. Ivanov ◽  
Alexander I. Boldyrev
Keyword(s):  
Natural Density ◽  
Adaptive Natural Density Partitioning

Aromaticity in porphyrins is described by the adaptive natural density partitioning analysis.

Solid state adaptive natural density partitioning: a tool for deciphering multi-center bonding in periodic systems

2013 ◽  
Vol 15 (14) ◽  
pp. 5022 ◽  
Author(s):  
Timur R. Galeev ◽  
Benjamin D. Dunnington ◽  
J. R. Schmidt ◽  
Alexander I. Boldyrev
Keyword(s):  
Solid State ◽  
Periodic Systems ◽  
Natural Density ◽  
Adaptive Natural Density Partitioning
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