Density functional cluster description of ionic materials: improved boundary conditions for MgO clusters with the help of cation model potentials

International Journal of Quantum Chemistry

Volumn 65, Issue 5, 1997, Pages 975-986

  Yudanov, Ilya V ^a,b   Nasluzov, Vladimir A ^a,c   Neyman, Konstantin M ^a   Rösch, Notker ^a  

^a TECHNICAL UNIVERSITY OF MUNICH   (Germany)

^b BORESKOV INSTITUTE OF CATALYSIS   (Russian Federation)

^c INSTITUTE OF CHEMISTRY AND CHEMICAL TECHNOLOGY   (Russian Federation)

Author keywords

[No Author keywords available]

Indexed keywords

EID: 0001391937     PISSN: 00207608     EISSN: None     Source Type: Journal    
DOI: 10.1002/(SICI)1097-461X(1997)65:5<975::AID-QUA60>3.0.CO;2-T     Document Type: Article

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