-
corresponding conformations of the
molecule are
called rotational isomers or
rotamers. Thus, for example, in an
ethane molecule H 3 C − CH 3 {\displaystyle {\ce...
- the dead-end
elimination algorithm does not
prune any more
rotamers, then
either rotamers have to be
merged or
another search algorithm must be used to...
- backbone-dependent
rotamer library provides the frequencies, mean
dihedral angles, and
standard deviations of the
discrete conformations (known as
rotamers) of the...
- time
scale for
interconversion is long
enough for
isolation of
individual rotamers (usually
arbitrarily defined as a half-life of
interconversion of 1000...
-
known as "
rotamers." The
methods attempt to
identify the set of
rotamers that
minimize the model's
overall energy.
These methods use
rotamer libraries...
-
exists as two
rotamers that can be
distinguished by NMR spectroscopy. The two prin****l
resonance structures for one of
these rotamers is shown: This...
- DEE
description included criteria for the
elimination of
single rotamers and of
rotamer pairs,
although this can be expanded. In the
following discussion...
- a
uniform probability distribution over the
rotamers—that is, if
there are p {\displaystyle p}
rotamers at the k t h {\displaystyle kth}
position in...
- pentamethylmolybdenum, Mo(CH3)5,
showing 4-fold
disorder of one
methyl group. One of four
rotamers of Mo(CH3)5.
Beatrice Roessler; Sven Kleinhenza;
Konrad Seppelt (2000)...
- of
isomerism is also
referred to as conformers,
rotational isomers, and
rotamers.
Conformational isomerism is
produced by
rotation about the
Single bond...
