![]() |
ИСТИНА |
Войти в систему Регистрация |
ИСТИНА ИНХС РАН |
||
One of the interesting aspects of the large-amplitude motion in molecules id the case where LAM is described by the pair of degenerate coordinates (like pseudorotation in AsF5 or CCC angle bending in the linear C3O2 molecule). This case allows more efficient treatment than direct calculation based on the 2D potential energy surface: the problem allows reduction to a single 1D large-amplitude problem or to a sequence of such problems.