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Analytical second derivatives for effective core potential. application to transition structures of cp(2)ru(2)(mu-h)(4) and to the mechanism of reaction cu+ch(2)n(2)

Q. Cui and D. G. Musaev and M. Svensson and K. Morokuma J. Phys. Chem. 100 10936--10944 (1996)
to abinitio approximation atoms basis-sets bibtex-import calculations copper cuch2 density-functional exchange gradient integrals methylene mo molecular thermochemistry by hlwoodcock on 2006-06-16 05:03:46
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