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Download e-book for kindle: Advances in Molecular Structure Research, Volume 1 (Advances by Magdolna Hargittai

By Magdolna Hargittai

ISBN-10: 0080550908

ISBN-13: 9780080550909

ISBN-10: 1559387998

ISBN-13: 9781559387996

Growth in molecular constitution study displays growth in chemistry in lots of methods. a lot of it truly is therefore combined inseparably with the remainder of chemistry. apparently to be prudent, even though, to check the frontiers of this box now and then. this can support the structural chemist to delineate the most thrusts of advances during this zone of analysis. what's much more very important even though, those efforts may well support the remainder of the chemists to benefit approximately new probabilities in structural stories, either methodological and interpretation. the purpose is to make this a user-oriented sequence. Structural chemists of excellence may be seriously comparing a box or path together with their very own achievements, and charting anticipated advancements.

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Chem. Soc. 1993, 115, 8278. Table 6-12 in ref. 5. Fleming, I. Frontier Orbitals and Organic Chemical Reactions; Wiley: Chichester, 1987. ; Hargittai, M. Symmetry Through the Eyes of a Chemist; VCH: Weinheim, 1986. Acta Cryst. 1978, B34, 1787. ; Cavalli, E. Acta Co'st. 1992, B48, 245. G. ; Kluwer: Dordrecht, 1989, p. 55 and p. 77. G. Compt. Rend. hebd. SFtanc. Acad. Sci. ; Maruani, J. Molec. Phys. 1990, 69, 97; idem, Int. J. Quant. Chem. 1993, 45. 177. Mezey. J. Math. Chem. 1992, 11, 27. g. R. Molecular Symmetry and Spectroscopy; Academic Press: New York, 1979, Chapter 11.

Hebd. SFtanc. Acad. Sci. ; Maruani, J. Molec. Phys. 1990, 69, 97; idem, Int. J. Quant. Chem. 1993, 45. 177. Mezey. J. Math. Chem. 1992, 11, 27. g. R. Molecular Symmetry and Spectroscopy; Academic Press: New York, 1979, Chapter 11. Grtinbaum, B. Proc. Pure Math: Am. Math. Soc. 1963, 7, 233. Calvo C. Can. J. Chem. 1969, 47, 3409-3416. The contours were computes as Slater-type orbitals, represented by three Gaussian functions (STO-3G) using GAMESS (General Atomic and Molecular Electronic Structure System) program.

This is especially so when looking for patterns in data collected by the same technique in the same laboratory. Table 6 presents some geometrical parameters of 2-fluorophenol [57], 2,6-difluorophenol [58], and tetrafluorohydroquinone [58]. There are several geometrical features that can be ascribed to the consequences of some weak hydrogenbond formation. They also seem to indicate a trend according to which the hydrogen bonds may strengthen from 2-fluorophenol toward tetrafluorohydroquinone. On Molecular Structure Research 49 Table 6.

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Advances in Molecular Structure Research, Volume 1 (Advances in Molecular Structure Research) by Magdolna Hargittai


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