Local spin analysis and chemical bonding

Chemistry - A European Journal

Volumn 19, Issue 45, 2013, Pages 15267-15275

  Ramos Cordoba, Eloy ^a   Salvador, Pedro ^a   Reiher, Markus ^b  

^a UNIVERSITY OF GIRONA   (Spain)

^b ETH ZURICH   (Switzerland)

Author keywords

ab initio calculations; bond theory; electronic structure; local spin analysis; main group elements

Indexed keywords

AB INITIO CALCULATIONS; BOND THEORY; BONDED MOLECULE; CHEMICAL BONDINGS; COVALENT CHARACTER; DIATOMIC MOLECULES; LOCAL SPIN; MAIN-GROUP ELEMENTS;

ELECTRONIC STRUCTURE; GROUND STATE; GROUP THEORY;

MOLECULES;

EID: 84886640409     PISSN: 09476539     EISSN: 15213765     Source Type: Journal    
DOI: 10.1002/chem.201300945     Document Type: Article

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