Quantum chemical topology: The electronic structure of the alkaline nitrites MONO (M = Li, Na, K) studied by means of topological analysis of the electron localization function

2009 ◽  
pp. NA-NA
Author(s):  
Sławomir Berski ◽  
Zdzisław Latajka
Keyword(s):  
Electronic Structure ◽  
Quantum Chemical ◽  
Topological Analysis ◽  
Electron Localization Function ◽  
Electron Localization ◽  
Localization Function ◽  
Chemical Topology ◽  
Quantum Chemical Topology

scholarly journals The nature of resonance-assisted hydrogen bonds: a quantum chemical topology perspective

2016 ◽  
Vol 18 (38) ◽  
pp. 26383-26390 ◽  
Author(s):  
José Manuel Guevara-Vela ◽  
Eduardo Romero-Montalvo ◽  
Aurora Costales ◽  
Ángel Martín Pendás ◽  
Tomás Rocha-Rinza
Keyword(s):  
Charge Transfer ◽  
Hydrogen Bonds ◽  
Quantum Chemical ◽  
Electron Localization ◽  
Chemical Topology ◽  
Quantum Chemical Topology ◽  
New Interpretation

We give a new interpretation of Resonance Assisted Hydrogen Bonds (RAHBs) in which RAHB formation leads to an overall electron localization excluding covalency as the main source of stabilization. The most relevant contributions to the RAHB energetics are electrostatics, polarization and charge transfer.

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