Quantum Mechanical Treatment of Variable Molecular Composition: From 'Alchemical' Changes of State Functions to Rational Compound Design

Author： Chang K. Y. Samuel   von Lilienfeld O. Anatole  

Publisher： Swiss Chemical Society

ISSN： 0009-4293

Source： CHIMIA International Journal for Chemistry, Vol.68, Iss.9, 2014-09, pp. : 602-608

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