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The average RMSD of H-atoms placed by HAAD from their corresponding positions in the ultra-high-resolution experimental structures is ∼26% lower than that obtained with HBUILD, a subroutine for hydrogen construction in CHARMM [21], and 10.7% lower than that by REDUCE [19].
In three independent tests based on experimental data from ultra-high-resolution X-ray structures, neutron diffraction experiments, and NOE proton-proton distance restraint data, the overall accuracy of the hydrogen positioning by HAAD is consistently higher than that of other methods used for hydrogen construction.
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Understanding the knowledge of supramolecular synthons is important for hydrogen bond construction.
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California's program, which is scheduled to be phased in during the 2018 model year, is part of a broader package of regulations, also approved by CARB on Friday, that includes requirements for the construction of hydrogen filling stations for fuel-cell vehicles.
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The H2LT proved to be exceptionally durable in these diverse environments, demonstrating the compatibility of PEM fuel cells and high-pressure hydrogen storage with the construction equipment application.
In particular, the bowl-shaped cavity of a molecular receptor known as resorcin[4]arene has been elaborated, using hydrogen bonds, for the construction of open and closed cavities that accommodate single and multiple guest species.
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Its first task was doing calculations for the construction of a hydrogen bomb.
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