Ab initio energy landscape of GeF2: A system featuring lone pair structure candidates

Angewandte Chemie - International Edition

Volumn 50, Issue 20, 2011, Pages 4627-4632

  Doll, Klaus ^a,b   Jansen, Martin ^a  

^a MAX PLANCK INSTITUT FÜR FESTKÖRPERFORSCHUNG   (Germany)

^b TECHNICAL UNIVERSITY OF BRAUNSCHWEIG   (Germany)

Author keywords

ab initio calculations; lone pairs; solid state structures; structure elucidation

Indexed keywords

AB INITIO CALCULATIONS; AB INITIO ENERGY; ENERGY LANDSCAPE; GLOBAL SEARCH; INITIO CALCULATIONS; LOCAL MINIMUMS; LONE PAIR; LONE PAIRS; PRE-INFORMATION; SOLID-STATE STRUCTURES; SOLID-STATE SYNTHESIS; STABLE CONFIGURATION; STRUCTURE ELUCIDATION;

CALCULATIONS;

FLUORIDE; GERMANIUM;

ARTICLE; CHEMICAL STRUCTURE; CHEMISTRY; QUANTUM THEORY;

FLUORIDES; GERMANIUM; MODELS, MOLECULAR; MOLECULAR STRUCTURE; QUANTUM THEORY;

EID: 79955667016     PISSN: 14337851     EISSN: 15213773     Source Type: Journal    
DOI: 10.1002/anie.201008070     Document Type: Article

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