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Torsional strain or eclipsing strain is the increase in potential energy of a molecule due to repulsion between electrons in bonds that do not share an atom Consider two In a Newman projection the torsion angle is the angle having an absolute value between 0 and 180 between bonds to two specified fiducial groups one from the atom nearer proximal to
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Each carbon has a region of especially high electron density where it s bonded to a hydrogen When the torsion angle is changed from staggered to eclipsed these regions In this paper the computational methods are described in detail and live Excel implementations which permit readers to readily perform the calculations for their own molecular systems are
Here we analyze torsional strain in crystal structures of druglike molecules in Cambridge structure database CSD and bioactive ligand conformations in protein data bank That are of greatest significance in organic chemistry are nonbonded interactions both repulsive and attractive and destabilization arising from distortion of bond lengths and angles from
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A dihedral angle also called torsion angle is defined by four sequentially bonded atoms This is represented in the figure below by the structure A B C D second panel note Five series of Tr ger base derived molecular torsion balances MTBs initially introduced by Wilcox and co workers showing an aromatic edge to face interaction in the
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Torsional strain or eclipsing strain is the increase in potential energy of a molecule due to repulsion between electrons in bonds that do not share an atom Consider two

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