On the Failure of Correlating Partitioned Electrostatic Surface Potentials Using Bader's Atoms-in-Molecules Theory to Impact Sensitivities

2013 ◽  
Author(s):  
Edward F. Byrd
Keyword(s):  
Atoms In Molecules ◽  
Surface Potentials ◽  
Impact Sensitivities ◽  
Atoms In Molecules Theory

An implementation of the atoms in molecules theory to the FPLAPW method

2002 ◽  
Vol 143 (3) ◽  
pp. 199-212 ◽  
Author(s):  
Yosslen Aray ◽  
Jesus Rodriguez ◽  
David Vega
Keyword(s):  
Atoms In Molecules ◽  
Atoms In Molecules Theory

On the electron-pair nature of the hydrogen bond in the framework of the atoms in molecules theory

2003 ◽  
Vol 369 (1-2) ◽  
pp. 248-255 ◽  
Author(s):  
J. Poater ◽  
X. Fradera ◽  
M. Solà ◽  
M. Duran ◽  
S. Simon
Keyword(s):  
Hydrogen Bond ◽  
Electron Pair ◽  
Atoms In Molecules ◽  
Atoms In Molecules Theory
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