The phrase "atomistic representation" is correct and usable in written English.
It can be used in contexts discussing theories or models that break down complex systems into simpler, individual components.
Example: "In her research, she focused on the atomistic representation of molecular structures to better understand their properties."
Alternatives: "discrete representation" or "individual component representation".
An atomistic representation of the second rectangular (A,C) is given in Fig. 9. Middle.
An atomistic representation of IGOs was built using a DFT computational-assisted structure determination, as described in the "Methods" section.
Previously reported experimental self-assembly features were quantitatively reproduced using a full atomistic representation.
The challenge is the development of a model that fits within an atomistic representation of the overall crystal yet remains computationally tractable.
The results of the present work indicate that a more sophisticated (atomistic) representation of the electrolyte environment will be beneficial for predicting redox potentials in better agreement with experiment.
In this investigation a devolatilized Illinois No. 6 coal char atomistic representation was generated, using Fringe3D and additional Perl scripts, coupled with the ReaxFF reactive force field for hydrocarbon combustion.
Construction of large-scale atomistic representations of activated carbon aids exploration of structure property relationships.
In this review, we summarize recent studies that use atomistic representations of interfaces to predict protein DNA binding specificity computationally.
Linking these data to structural defects will enhance linking reactivity to structure, capturing and improving structural features in atomistic representations.
We have evaluated conformational and orientational averages of binary interaction integrals for pairs of chains constituting atomistic representations of short polymer molecules.
A charge locating inside the cylinder cavity, where ion channel proteins and ions are given explicit atomistic representations, will be influenced by the polarization field of the surrounding implicit dielectric/electrolyte medium.
