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

Chang, K. Y. Samuel; Lilienfeld, O. Anatole von

doi:10.48550/arxiv.1503.07034

2015

DOI: 10.48550/arxiv.1503.07034

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

K. Y. Samuel Chang¹,

O. Anatole von Lilienfeld²

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

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