Communication: An approximation to Bader's topological atom

Journal of Chemical Physics

Volumn 139, Issue 7, 2013, Pages

  Salvador, Pedro ^a   Ramos Cordoba, Eloy ^a  

^a UNIVERSITY OF GIRONA   (Spain)

Author keywords

[No Author keywords available]

Indexed keywords

QUANTUM THEORY;

ATOMIC CHARGE; COMPUTATIONALLY EFFICIENT; DELOCALIZATION INDEXES; FLEXIBLE DEFINITION; MOLECULAR ENERGIES; NON-NUCLEAR ATTRACTORS; QUANTUM THEORY OF ATOMS IN MOLECULES; VORONOI CELL;

ATOMS;

EID: 84903362716     PISSN: 00219606     EISSN: None     Source Type: Journal    
DOI: 10.1063/1.4818751     Document Type: Article

References (23)

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18. See supplementary material at http://dx.doi.org/10.1063/1.4818751 E-JCPSA6-139-066332 for additional data such as integration accuracy of TFVC and use of the method with NNA's.
19. P. Salvador and E. Ramos-Cordoba, " APOST-3D.," University of Girona, Spain, 2013.
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21. P. M. Polestshuk, J. Comput. Chem. 34, 206 (2013). 10.1002/jcc.23121
22. M. Garcia-Borràs, S. Osuna, M. Swart, J. M. Luis, and M. Solà, " Maximum aromaticity as a guiding principle for the most suitable hosting cages in endohedral metallofullerenes.," Angew. Chem. (published online). 10.1002/anie.201303636
23. AIMAll (Version 13.05.06), Todd A. Keith, TK Gristmill Software, Overland Park KS, USA, 2013, see aim.tkgristmill.com.