Comment on "extending Hirshfeld-I to bulk and periodic materials"

Journal of Computational Chemistry

Volumn 34, Issue 5, 2013, Pages 418-421

  Manz, Thomas A ^a  

^a Horeshoe Cir Jett Hall   (United States)

Author keywords

atomic population analysis; density derived electrostatic and chemical; Hirshfeld; Hirshfeld I; iterated stockholder atoms; net atomic charge; partial charge; periodic materials; solids

Indexed keywords

ATOMIC CHARGE; ATOMIC POPULATION; HIRSHFELD; HIRSHFELD-I; PARTIAL CHARGES;

ATOMS; CHEMICAL ANALYSIS; CHEMICAL ELEMENTS; ELECTROSTATICS; SHAREHOLDERS; SOLIDS;

IODINE;

EID: 84872849549     PISSN: 01928651     EISSN: 1096987X     Source Type: Journal    
DOI: 10.1002/jcc.23191     Document Type: Article

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