Quantum chemical studies of spin crossover polymers: Periodic DFT approach

Polyhedron

Volumn 28, Issue 9-10, 2009, Pages 1955-1957

  Chumakov, Yurii ^a,d   Matouzenko, Galina S ^b   Borshch, Serguei A ^b   Postnikov, Andrei ^c  

^a UNIVERSITÉ CLAUDE BERNARD LYON 1   (France)

^b UNIVERSITÉ DE LYON   (France)

^c UNIVERSITÉ DE LORRAINE   (France)

^d INSTITUTE OF APPLIED PHYSICS   (Moldova)

Author keywords

Coordination polymers; DFT calculations; Spin crossover

Indexed keywords

GROUND STATE; PERIODIC STRUCTURES; QUANTUM THEORY;

COORDINATION POLYMERS; COORDINATION-POLYMERS; DFT CALCULATION; DFT METHOD; IMIDAZOL; PERIODIC DFT; PYRIDYL; QUANTUM CHEMICAL CALCULATIONS; QUANTUM CHEMICAL STUDIES; SPIN CROSSOVERS;

QUANTUM CHEMISTRY;

EID: 67349151278     PISSN: 02775387     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.poly.2008.11.003     Document Type: Article

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