The length of a CC single bond joining two 1,2-dihydropyridine rings in 6,7,12a,12b-tetrahydrodipyrido[1,2-a:2′,1′-c]pyrazine and its congenersWe have carried out full geometry optimizations using the MNDO MO method on conformers of the titled molecule and those of its congeners. It...
键长(bond length)名词解释键长(bond length) 名词解释 键长是指化学键中两个原子之间的距离,是影响分子结构和性质的重要因素。 键长是指在分子中,两个原子之间的最短距离,通常用皮米 (pm) 作为单位表示。键长是分子结构中非常重要的参数之一,决定了分子的稳定性、化学反应性、光学和电学性质等。 键长的大小取决...
[33] similarly reported decrease of 29% when the bond length of steel reinforcing bar with ceramsite LWC was doubled from 60 mm to 120 mm. The decrease in the bond strength of fibre reinforced LWC was in the range of 10–20% when the bond length was increased from 60 mm to 96 mm....
An estimate of the re geometry has also been derived. The additional precise CC bond lengths obtained for an unsubstituted, conjugated hydrocarbon enable us to examine bond order-bond length relationships more thoroughly than has previously been possible. The CC bond lengths exhibit a noticeably ...
Previous experimental and theoretical results on the thermolysis of bulky hydrocarbons indicated that the activation energy for C-C bond cleavage was inversely proportional to the ground state strain enthalpy which in turn directly correlated with the C-C bond length, see: Ruchardt, C.; Beckhaus,...
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(2df,p) geometries) suggest that O–H dissociation of a carbamic acid group (Fig.4c), results in the spontaneous loss of CO2, M06-2X calculations result in a weakly-bound adduct with a N–C bond length of 1.63 Å. Relative to the G4 value, both DFT and ML predictions in ...
Dewar-de Llano PPP-SCF-MO calculations were performed to examine the effect of bond-length alternation on the σ and π frames of benzene. It was confirmed that the equalization of the CC bond lengths in benzene was caused primarily by a high degree of aromaticity. Benzene still is highly ...
The Equilibrium CC Bond Length~1 Twenty eight CC bonds lengths (from a sample of 23 molecules)whose experimental equilibrium structures are thought to be reliable are calculated ab initio... DJE Boggs - 《Structural Chemistry》 被引量: 0发表: 2000年 On the Correlation between Bond-Length Change...