RM1 semiempirical quantum chemistry: Parameters for trivalent lanthanum, cerium and praseodymium

PLoS ONE

Volumn 10, Issue 7, 2015, Pages

  Dutra, José Diogo L ^a,c   Filho, Manoel A M ^a   Rocha, Gerd B ^b   Simas, Alfredo M ^c   Freire, Ricardo O ^a  

^a FEDERAL UNIVERSITY OF SERGIPE   (Brazil)

^b FEDERAL UNIVERSITY OF PARAÍBA   (Brazil)

^c FEDERAL UNIVERSITY OF PERNAMBUCO   (Brazil)

Author keywords

[No Author keywords available]

Indexed keywords

CERIUM; LANTHANUM; PRASEODYMIUM; LANTHANIDE;

ARTICLE; CHEMICAL BOND; CHEMICAL STRUCTURE; MEASUREMENT ACCURACY; MODEL; NITROGEN BOND; OXYGEN BOND; QUANTUM CHEMISTRY; RM1 MODEL; SYSTEMATIC ERROR; ALGORITHM; CHEMICAL MODEL; CHEMISTRY;

ALGORITHMS; CERIUM; LANTHANOID SERIES ELEMENTS; LANTHANUM; MODELS, CHEMICAL; PRASEODYMIUM;

EID: 84940094457     PISSN: None     EISSN: 19326203     Source Type: Journal    
DOI: 10.1371/journal.pone.0124372     Document Type: Article

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