Evaluation of electric field within pores of aluminophosphate sieves

International Journal of Quantum Chemistry

Volumn 105, Issue 6, 2005, Pages 839-856

  Larin, A V ^a   Hansenne, C ^b   Trubnikov, D N ^a   Vercauteren, D P ^b  

^a MOSCOW STATE UNIVERSITY   (Russian Federation)

^b UNIVERSITY OF NAMUR   (Belgium)

Author keywords

Aluminophosphate sieve; Atomic multipole moments; Electric field; Electrostatic potential; Periodic density functional theory

Indexed keywords

APPROXIMATION THEORY; CRYSTALLOGRAPHY; ELECTRIC FIELDS; PHOSPHATES; PROBABILITY DENSITY FUNCTION;

ALUMINOPHOSPHATE SIEVE; ATOMIC MULTIPOLE MOMENTS; ELECTROSTATIC POTENTIAL; PERIODIC DENSITY FUNCTIONAL THEORY;

POROUS MATERIALS;

EID: 30544444393     PISSN: 00207608     EISSN: None     Source Type: Journal    
DOI: 10.1002/qua.20803     Document Type: Conference Paper

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