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High level theoretical treatments are more easily understood and digested when accompanied by concrete examples.
Meanwhile, the nature of coordinate bonds in complex 1 has been deeply investigated by high level theoretical calculations.
We have therefore demonstrated a high level theoretical link between brain oscillations [25], differential excitability in brain networks (e.g. [26]) and abnormal rhythm generation, which are crucial concepts for epilepsy.
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The example above shows how we achieved the translation of concepts across studies through the use of line-by-line coding, the organisation of these codes into descriptive themes, and the generation of analytical themes through the application of a higher level theoretical framework.
That's the high-level, theoretical stuff.
High-level theoretical calculations can be applied to estimate thermochemical properties for small to medium sized molecules.
However, high-level theoretical calculations are very intensive computationally and require a substantial time investment, limiting their application to small/medium size molecules.
We believe it demonstrates a way to use high-level theoretical quantum calculations in large-scale applications that otherwise would not afford the intrinsic computational cost.
Some methods have been developed for predicting thermochemical properties of molecules, ranging from group/bond additivity, high-level theoretical calculations and quantitative structure property relationships (QSPR) methods.
In this way, high-level theoretical quantum calculations can be used in large-scale applications that otherwise would not afford the intrinsic computational cost.
High-level theoretical calculations are not capable of showing us these mechanistic relationships, even though they are based on the quantum mechanical principles that describe the fundamental physics of the system.
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Justyna Jupowicz-Kozak
CEO of Professional Science Editing for Scientists @ prosciediting.com