Approximations of the Mulliken charges for the oxygen and silicon atoms of zeolite frameworks calculated with a periodic Hartree-Fock scheme

International Journal of Quantum Chemistry

Volumn 70, Issue 4-5, 1998, Pages 973-980

  Larin, A V ^a   Vercauteren, D P ^b  

^a UNIVERSITY OF NAMUR   (Belgium)

^b MOSCOW STATE UNIVERSITY   (Russian Federation)

Author keywords

Mulliken charges; Periodic hartree fock; Zeolite

Indexed keywords

EID: 0347228178     PISSN: 00207608     EISSN: None     Source Type: Journal    
DOI: 10.1002/(sici)1097-461x(1998)70:4/5<993::aid-qua45>3.0.co;2-y     Document Type: Article

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