Spin-crossover in cyanide-based bimetallic coordination polymers-insight from first-principles calculations

Journal of Materials Chemistry

Volumn 21, Issue 36, 2011, Pages 13832-13840

  Sarkar, Soumyajit ^a   Tarafder, Kartick ^b   Oppeneer, Peter M ^b   Saha Dasgupta, Tanusri ^a  

^a S N BOSE NATIONAL CENTRE FOR BASIC SCIENCES   (India)

^b UPPSALA UNIVERSITY   (Sweden)

Author keywords

[No Author keywords available]

Indexed keywords

BOND-STRETCHING; COMPUTATIONAL INVESTIGATION; COORDINATION POLYMERS; COVALENT BONDING; CU-BASED; FIRST-PRINCIPLES CALCULATION; FIRST-PRINCIPLES STUDY; RE-DISTRIBUTION; RELATIVISTIC EFFECTS; SPIN CROSSOVERS; SPIN TRANSITION; SPIN-CROSSOVER TRANSITIONS; TEMPERATURE-INDUCED;

CYANIDES; DENSITY FUNCTIONAL THEORY; FUNCTIONAL POLYMERS; HYDRATION; LEAD COMPOUNDS; SILVER;

CALCULATIONS;

EID: 80052329290     PISSN: 09599428     EISSN: 13645501     Source Type: Journal    
DOI: 10.1039/c1jm11679g     Document Type: Article

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