Novel quantum mechanical/molecular mechanical method combined with the theory of energy representation: free energy calculation for the Beckmann rearrangement promoted by proton transfers in the supercritical water. [electronic resource]

By: Contributor(s): Producer: 20070426Description: 084508 p. digitalISSN:
  • 0021-9606
Online resources: In: The Journal of chemical physics vol. 126
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Publication Type: Journal Article

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