This minireview covers the literature of the last decade related to the stereochemistry of
axially chiral molecules. The first section reviews the use of dynamic NMR and dynamic …

Educación Química, vol. 1, núm. 0 Page 1 RESEÑAS Ernest L. Eliel, Samuel H. Wilen and
Michael P. Doyle. Wiley-Interscience, New York, USA 2001, xiv + 688 pp. ISBN 0-471-37499-7 …

A new force field has been developed for alkanes and cycloalkanes, excluding small rings,
to improve the calculation of vibrational frequencies, rotational barriers, and numerous …

This book contains five chapters: Basic Principles, Spectral Parameters, Experimental
Techniques for Spectral Assignment, Nuclear Spin Relaxation, and Applications. The …

We selected 145 reference organic molecules that include model fragments used in
computer-aided drug design. We calculated 158 conformational energies and barriers using …

The barrier to rotation about the C2-C3 bond in «-butane has been calculated using several
basis sets, complete geometry optimization, and correction for electron correlation. Neither …

Deformation of the normal geometries of organic molecules has been of continuing interest
in the study of organic chemistry. Modification of the properties of compounds in this way has …

Ab initio molecular orbital calculations have been carried out on over 50 model organic
molecules and ions to provide the data necessary in the determination of torsional …

Full conformational flexibility and yet a high preference for a single backbone conformation
is displayed by certain hydrocarbon skeletons such as the one on the right (calculated …

The alkylbenzene derivatives (R)-PhCH (CH3) tBu (1) and (R)-PhCH (CH3) iPr (2) were
taken as paradigms of chiral benzene compounds and their vibronic electronic circular …