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Biol."},{"key":"ref52\/cit52","doi-asserted-by":"crossref","first-page":"566","DOI":"10.1103\/PhysRevLett.45.566","volume":"45","author":"Ceperley D. M.","year":"1980","journal-title":"Phys. Rev. Lett."},{"key":"ref53\/cit53","doi-asserted-by":"crossref","first-page":"5048","DOI":"10.1103\/PhysRevB.23.5048","volume":"23","author":"Perdew J. P.","year":"1981","journal-title":"Phys. Rev. B"},{"key":"ref54\/cit54","doi-asserted-by":"crossref","first-page":"5648","DOI":"10.1063\/1.464913","volume":"98","author":"Becke A. D.","year":"1993","journal-title":"J. Chem. Phys."},{"key":"ref55\/cit55","volume-title":"Gaussian 03","author":"Frisch M. J.","year":"2004"},{"key":"ref56\/cit56","doi-asserted-by":"crossref","first-page":"508","DOI":"10.1063\/1.458452","volume":"92","author":"Delley B.","year":"1990","journal-title":"J. Chem. Phys."},{"key":"ref57\/cit57","doi-asserted-by":"crossref","first-page":"7756","DOI":"10.1063\/1.1316015","volume":"113","author":"Delley B.","year":"2000","journal-title":"J. Chem. Phys."},{"key":"ref58\/cit58","doi-asserted-by":"crossref","first-page":"2701","DOI":"10.1039\/b507036h","volume":"7","author":"Zhao Y.","year":"2005","journal-title":"Phys. Chem. Chem. Phys."},{"key":"ref59\/cit59","doi-asserted-by":"crossref","first-page":"415","DOI":"10.1016\/j.cplett.2006.06.057","volume":"426","author":"van der Wijst T.","year":"2006","journal-title":"Chem. Phys. Lett."},{"key":"ref60\/cit60","doi-asserted-by":"crossref","first-page":"204102","DOI":"10.1063\/1.2924133","volume":"128","author":"Cooper V. R.","year":"2008","journal-title":"J. Chem. Phys."},{"key":"ref61\/cit61","doi-asserted-by":"crossref","first-page":"5224","DOI":"10.1021\/jp811138n","volume":"113","author":"Silvestrelli P. L.","year":"2009","journal-title":"J. Phys. Chem. 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