Natural populations and charge transfer in hydrogen and alkali bihalide ions
Author:
Publisher
Elsevier BV
Subject
Physical and Theoretical Chemistry,Condensed Matter Physics,Biochemistry
Reference6 articles.
1. Ab initio theoretical study of the electronic structure, stability and bonding of MXY− ions (M = H, Li, Na; X, Y= F, C1)
2. Electronic Population Analysis on LCAO–MO Molecular Wave Functions. I
3. Natural population analysis
4. AB Initio Molecular Orbital Calculations of Bond Index and Valency
5. Intermolecular interactions from a natural bond orbital, donor-acceptor viewpoint
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1. The ground-state Na+affinities of a series of substituted acetophenones: a DFT study;Molecular Simulation;2010-05
2. Electronic Structure, Stability, and Nature of Bonding of the Complexes of C2H2 and C2H4 with H+, Li+, and Na+ Ions. Extensive ab Initio and Density Functional Study;The Journal of Physical Chemistry A;2001-07-19
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