Description of pentacoordinated phosphorus under an external electric field: which basis sets and semi-empirical methods are needed?†
Abstract
Phosphate transfer reactions are ubiquitous in nature and play fundamental roles in ATP
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* Corresponding authors
a
Theoretical and Computational Chemistry Group, Departament de Química Orgànica Biològica, Institut d’Investigacions Químiques i Ambientals de Barcelona, IIQAB - CSIC, c/Jordi Girona 18, Barcelona, Spain
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Phosphate transfer reactions are ubiquitous in nature and play fundamental roles in ATP
E. Marcos, J. M. Anglada and R. Crehuet, Phys. Chem. Chem. Phys., 2008, 10, 2442 DOI: 10.1039/B719792F
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