π hydrogen-bond proton acceptor than the CC multiple-bond monomers. 展开 关键词: BB multiple bonds HB BH ( 1Δ g Hydrogen-bond proton acceptor Electron density shifts DOI: 10.1016/j.theochem.2008.10.046 被引量: 55 年份: 2009 收藏 引用 批量引用 报错 分享 ...
It can be expected that in this way hydrogen bonding of any species to backbone carbonyls can control the rotamer distribution of aromatic side-chains, if one of the rotamers occludes unpaired electrons of the carbonyl. Such control may offer an on-off switch for electron transport through ...
In analogy, a p-hole can be seen as a region of electropositive potential on a molecule that is roughly located on an unpopulated p* antibonding orbital of a p bond, for example, on carbonyls or p-acidic aromatics like hexafluorobenzene8–11. It is known that p-holes in nitro-compounds...
This difference is shown to arise as a result of the shorter triplet-state lifetime of the carbonyls in the isotactic polymer. For the atactic polymer an energy migration coefficient of 1.8 脳 10-5 cm2 s-1 was calculated, ... T Kilp,JE Guillet - 《Macromolecules》 被引量: 25发表: 19...
In nph SH3, the mean distances between amide hydrogens and carbonyls of L19 and L49 are smaller than 2.5 Å for the WT and L28A simulations based on the set full. On the contrary, the L28P mutation or the use of the set reduced disrupt these hydrogen bonds, with corresponding mean ...