Secondary Isotope Effects in Molecular Structure
نویسندگان
چکیده
منابع مشابه
Ab initio study of secondary isotope effects on molecular structure
An ab initio calculation of a secondary isotope effect on a bond length has been carried out for the first time. Single determinant molecular orbital computations indicate that the mean C-C bond length at O"K is longer in C,H6 than in C,D6 by 0.0015 A. A comparison with model calculations supports a steric interpretation in which H atoms act as if they are bulkier than 0 atoms owing to their la...
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Secondary Deuterium Isotope Effects in Solvolyses of Small-ring Compounds.
M.I.T. Quart. Prog. Rept., 50, 11 (1963); (f) McLean, A. D., J. Chem. Phys., 32, 1959 (1960). 6 Clementi, E., C. Roothaan, and M. Yoshimine, Phys. Rev., 127, 1618 (1962). 7K = 1.75, a(2s)= -0.559 au; a(2p)= -0.312 au; a(H) -0.50 au. 8 For BH a(2s) = -0.909 au; a(2p) = -0.314 au; a(H) = -0.591 au. For BB a(2s) -0.920 au; a(2pr) = -0.189 au; a(2pir) = -0.179 au. 9 Newton, M. D., unpublished work....
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MOTIVATION Until ab initio structure prediction methods are perfected, the estimation of structure for protein molecules will depend on combining multiple sources of experimental and theoretical data. Secondary structure predictions are a particularly useful source of structural information, but are currently only approximately 70% correct, on average. Structure computation algorithms which inc...
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Dynamic control of gene expression is crucial for cellular adaptation to environmental challenges. mRNA secondary structure is known to be associated with mRNA and protein abundance, but little is known about how mRNA secondary structure affects gene expression dynamics. We report a genome-wide computational analysis of mRNA secondary structure, codon usage, and gene expression in budding yeast...
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ژورنال
عنوان ژورنال: The Journal of Chemical Physics
سال: 1962
ISSN: 0021-9606,1089-7690
DOI: 10.1063/1.1732486