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All energies and gradients were correctly computed; moreover, atom type and force constants were correctly assigned for 3D molecules built from SMILES strings.
The difference IR and Raman spectra of molecules built from the thiophosphoryl and phthalocyanine cores with the same repeating units and terminal groups were studied in order to underline the role of the core functionality on the dendrimer architecture.
The difference IR spectra of molecules built from the thiophosphoryl, cyclotriphosphazene, and phthalocyanine cores with the same repeated units and terminal groups were studied in order to undermine the role of the core functionality on the dendrimer architecture.
Two symmetrical 2,5-bis[4- 2-arylvinyl phenyl]-1,3,4-oxadiazoles that exhibit strong two-photon absorption and enhanced two-photon excited fluorescence were designed and synthesized based on "push-core-pull-core-push" molecules built from embedding electron-transporting 1,3,4-oxadiazole in aromatic conjugated system through Wittig–Horner reaction.
DOI: http://dx.doi.org/10.7554/eLife.07975.001 Proteins are long chain-like molecules built from smaller building blocks, called amino acids, by a large molecular machine known as a ribosome.
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Well, water can be defined as a molecule built from two atoms of hydrogen and one atom of water.
We show a sample full atomic tRNA molecule built from the ideal backbone template in Figure 2B and show the full atomic crystal structure for comparison (Fig. 2A).
Extracellular matrix (ECM) proteins are large modular molecules built up from a limited set of modules, or domains.
Dewar's molecules were built from carbon atoms represented by black discs placed at the centre of pairs of copper bands.
Nanotubes are fullerenes, hollow molecules built of carbon atoms -- like buckyballs, their soccer-ball-shaped chemical cousins.
As indicated in Figure 1a, the molecule is built from three naphthalene units, which are linked together by C C bonds.
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Justyna Jupowicz-Kozak
CEO of Professional Science Editing for Scientists @ prosciediting.com