DFT and AB initio calculation on thermochemistry of Al 6(OH) 18(H 2O) x(X=0-6), Al(OH) 6 -3 and Al(OH) 4(H 2O) 2

TMS Light Metals

Volumn , Issue , 2005, Pages 229-234

  Wu, Zhengping ^a   Chen, Qiyuan ^a   Yin, Zhoulan ^a  

^a CENTRAL SOUTH UNIVERSITY   (China)

Author keywords

Ab initio; DFT; Growth units; Termochemistry

Indexed keywords

AB INITIO; ALUMINATE SOLUTION; DFT; GROWTH UNITS; THERMOCHEMISTRY;

COMPUTATIONAL METHODS; CRYSTAL GROWTH; CRYSTALLIZATION; CRYSTALS; INTERFACES (MATERIALS); POLYMERIZATION; PROBABILITY DENSITY FUNCTION; SCANNING ELECTRON MICROSCOPY;

ALUMINUM COMPOUNDS;

EID: 84855612835     PISSN: 01470809     EISSN: None     Source Type: Conference Proceeding    
DOI: None     Document Type: Conference Paper

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