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   Articles with "exact simulations" as a keyword



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Optimisation of excitation schemes for 14N overtone MAS NMR using numerically exact simulations.

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recommendations! Published in 2017 at "Solid state nuclear magnetic resonance"

DOI: 10.1016/j.ssnmr.2016.12.006

Abstract: Numerically exact simulations of the 14N overtone (14NOT) MAS NMR experiment are used to investigate the effects of the applied magnetic field strength as well as three types of excitation pulse. The results show that… read more here.

Keywords: mas nmr; numerically exact; 14n overtone; exact simulations ... See more keywords
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Formally exact simulations of mesoscale exciton dynamics in molecular materials†

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recommendations! Published in 2021 at "Chemical Science"

DOI: 10.1039/d1sc01448j

Abstract: Excited state carriers, such as excitons, can diffuse on the 100 nm to micron length scale in molecular materials but only delocalize over short length scales due to coupling between electronic and vibrational degrees-of-freedom. Here,… read more here.

Keywords: exciton dynamics; formally exact; mesoscale exciton; molecular materials ... See more keywords