DIELS-ALDER REACTIONS; DENSITY-FUNCTIONAL THEORY; HYDROGEN-BOND INTERACTIONS; MOLECULAR-DYNAMICS; AB-INITIO; CYCLOADDITION REACTIONS; HYDROPHOBIC HYDRATION; COMPUTER-SIMULATIONS; PERICYCLIC-REACTIONS; QUANTUM-CHEMISTRY
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY, v.129, no.17, pp.5492 - 5502
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