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Language: English

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We made this machine for The Montpelier Foundation, who are the trustees of Madison's home and property. In this paper we present an efficient method for the determination of minimum energy reaction paths with the ab initio quantum mechanical/molecular mechanical approach. They are usually programmed using Hardware Description Languages (HDLs), like the Application-Specific Integrated Circuits (ASICs), so, in theory, they could implement any of the algorithms presented previously.

Pages: 232

Publisher: Oxford University Press (September 10, 1998)

ISBN: 0198500807

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