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Computational Design of New Heterofullerene-Based Biomimetic α-Carbonic Anhydrase Analogues

Manju Verma1, Parag A Deshpande2

  • 1Quantum and Molecular Engineering Laboratory, Department of Chemical Engineering, Indian Institute of Technology Kharagpur, Kharagpur, 721302, India), Tel: (+91) 3222-283916.

Chemphyschem : a European Journal of Chemical Physics and Physical Chemistry
|July 22, 2016
PubMed

Keywords:
biomimetic catalysiscarbon dioxide fixationdensity functional calculationselectronic structurefree-energy landscape

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