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As a consequence, the design derivatives of the variables of state and hence the adjoint variables are also discontinuous.
These compounds revealed realistic Shikimate Kinase inhibitory activity and can be more active to design derivatives with modified actions.
This work details a comparative analysis of six methods for computing the transient system response and adjoint design derivatives of a nonlinear structure under a periodic external actuation.
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But along the way, there was likely a design derivative of the product that deserved more attention.
The engineers designed derivatives and securitisations, from simple interest-rate options to ever more intricate credit-default swaps and collateralised debt obligations.
Designed derivatives should have better gastrointestinal absorption than HAA tested in this study.
These amplitudes have been significantly enhanced in designed derivatives 2 and 3.
All the newly designed derivatives displayed significantly improved electron injection ability than those of the parent molecule.
Thus, the present work realizes the potential of designed derivatives as efficient NLO-phores for modern NLO applications.
The decreased injection barrier is revealing that new designed derivatives would be better charge transport materials than the parent molecule.
The comprehensible ICT has been observed from highest occupied molecular orbitals to lowest unoccupied molecular orbitals in new designed derivatives.
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