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Dec 16, 2016 ... ... started from a Wigner distribution around the ground-state equilibrium
geometry and propagated for 250 fs (furan) or 500 fs (furan derivates).
For each molecule a set of 100 trajectories was started from a Wigner distribution
around the ground-state equilibrium geometry and propagated for 250 fs (furan) ...
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this ... (za r 4¡1 ,7R ,2" R/S) -l- ( furan-3' -yI) -2- f-S"-(furan-3",-yI)-. 2"-methylpent.
carbon labelling of the FS furan rings shown. ... Z. Gan, J. Am. Chem. Soc. ... https
://www.iucr.org/resources/commissions/nmr-crystallography, Last accessed ...
Jun 30, 2017 ... Transition moments |〈Si |μx,y,z|S0〉|2 are given in debye, additionally the ... is
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equilibrium geometry and propagated for 250 fs (furan) or.
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