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Publication Listing for the MeSH term ab-initio. Found 4 abstracts

Bhat KL, Lai JH, Markham GD, DiJulio AM, Bock CW. Amine-catalyzed B-O-C bond formation: Mechanistic insights from density functional theory and second-order Moller-Plesset perturbation theory. ORGANOMETALLICS. 2006 May;25(10):2427-36.
Bock CW, Katz AK, Markham GD, Glusker JP. Manganese as a replacement for magnesium and zinc: Functional comparison of the divalent ions. Journal of the American Chemical Society. 1999 Aug 18;121(32):7360-72.
George P, Siegbahn PE, Glusker JP, Bock CW. The dehydration step in the enzyme-coenzyme-B-12 catalyzed diol dehydrase reaction of 1,2-dihydroxyethane utilizing a hydrogen- bonded carboxylic acid group as an additional cofactor: A computational study. Journal of Physical Chemistry B. 1999 Sep 02;103(35):7531-41.
Katz AK, Glusker JP, Markham GD, Bock CW. Deprotonation of water in the presence of carboxylate and magnesium ions. Journal of Physical Chemistry B. 1998 Aug 13;102(33):6342-50.
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MeSH cloud from publications including the MeSH term ab-initio

Last updated on Tuesday, August 11, 2020