The Effect of Hydrogen-Bond Distance on Proton Transfer in Nanoconfined SolventsJason K. Streit
Uncoupled ν̄(OD) frequencies of isotopically dilute HDO molecules (from 75 K IR measurements) are reported for 30 O H(D)⋯F type hydrogen bonds in 16 solid hydrates along with a compilaton of corresponding hydrogen bond distances and angles (from room temperature X-ray structure determinat...
As for the crystal structure of poly(3-hydroxybutyrate) (PHB) α-form, the methyl group was said to locate at an abnormally short distance from the oxygen atom of C═O unit, resulting in the formation of CH3···O═C hydrogen bond. This... H Wang,K Tashiro - 《Macromolecules》 被引...
Direct molecular editing of heteroarene carbon–hydrogen (C–H) bonds through consecutive selective C–H functionalization has the potential to grant rapid access into diverse chemical spaces, which is a valuable but often challenging venture to achieve in medicinal chemistry1. In contrast to electronic...
MA molecular crystals are characterized by a tendency to spontaneous H/D isotopic exchange both within centrosymmetric hydrogen bond cycles and methylene groups. The mono- and polycrystalline spectra obtained in the infrared range of isotopically neat and isotopically diluted by deuterons do not indicate...
ahydrogen bond caused the formation of dimers, which have the[translate] aspinch spinch[translate] afor encouraging 为鼓励[translate] a促销员 正在翻译,请等待...[translate] aLaughter is the sun that drives winter from the human face 笑声是从人面驾驶冬天的太阳[translate] ...
The bond-valence bond-length concept has been applied to derive a correlation between the hydrogen−hydrogen and the metal−hydrogen distances in the nonclassical dihydrogen complexes and classical transition metal dihydrides. The parameters of this correlation are similar to those for strong hydrogen...
In an attempt to discover and analyze trends in distance relationships and properties at the bond critical point (BCP) in linear or near-linear NH···N hydrogen bonds, the geometry of such bonds in a large number of suitable simple chemical species was optimized at the RH...
, the underlying 2D matrix of a contact map, known as acontact matrix, can naturally be used as numeric input in subsequent automated knowledge discovery or machine learning tasks. PConPy generates publication-quality renderings of contact maps, and the related distance- and hydrogen bond maps....
Trajectory calculations for atom-molecule reactions which define the potential energy in terms of a bond angle and (adjacent) bond distance coordinate system will show discontinuities due to the necessity of switching surfaces during a trajectory. We show how to remove these discontinuities for the F...