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A formula for calculating the torsional angles in sterically hindered molecules

โœ Scribed by M. Yu. Kornilov

Book ID
112362882
Publisher
Springer
Year
1977
Tongue
English
Weight
134 KB
Volume
12
Category
Article
ISSN
0040-5760

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๐Ÿ“œ SIMILAR VOLUMES

Pitfalls in the use of the torsion angle
Pitfalls in the use of the torsion angle driving method for the calculation of conformational interconversions
โœ Ulrich Burkert; Norman L. Allinger ๐Ÿ“‚ Article ๐Ÿ“… 1982 ๐Ÿ› John Wiley and Sons ๐ŸŒ English โš– 586 KB

## Abstract Several deficiencies and potential sources of error in the torsion angle driving method, the approach employed most frequently for the simulation of conformational interconversions, have been studied. A general explanation of the observed effects is given in terms of the energy surface