W. Clark Still

Abstract: (11) Potassium ferricyanide has previously been used to convert w'c-1,2-dicarboxylate groups to double bonds. See, for example, L. F. Fieser and M. J. Haddadln, J. Am. Chem. Soc., 86, 2392 (1964). The oxidative dldecarboxylation of 1,2-dlcarboxyllc acids is, of course, a well-known process. See Inter alia (a) C. A. Grob, M. Ohta, and A. Weiss, Helv. Chim. Acta, 41, 1911 (1958); and (b) E. N. Cain, R. Vukov, and S. Masamune, J. Chem. Soc. D, 98 (1969).

TL;DR: An integrated molecular modeling system for designing and studying organic and bioorganic molecules and their molecular complexes using molecular mechanics is described in this article, which allows the construction, display and manipulation of molecules and complexes having as many as 10,000 atoms and provides interactive, state-of-the-art molecular mechanics on any subset of up to 1000 atoms.

TL;DR: In this paper, it was shown that the active carbon incorporation catalyst is carbided iron and this conclusion was well supported by bulk carbon to iron stoichiometries of 0.1-0.25 estimated from the TPHT peak areas which were adequate to represent 40-60'36 conversion to bulk carbides such as Fe,C or FeSC2.

TL;DR: In this article, an internal coordinate random-search method for finding low-energy conformations of organic molecules is described, which is biased toward the low energy regions of conformational space by choosing starting geometries for each step in the conformational search.

TL;DR: In this article, a fast analytical formula was derived for the calculation of approximate atomic and molecular van der Waals (vdWSA), and solvent-accessible surface areas (SASAs), as well as the first and second derivatives of these quantities with respect to atomic coordinates.