Bond-length bond-strength correlation for hydrogen-bonded carboxyl groupsAn empirical correlation is established between the C = O and C–OH lengths of hydrogen-bonded carboxylic acids, indicating a decrease of π-bond order of C = O and an increase for C–OH with decreasing O…O distanc...
Hydrogen bonds are intermediate in terms of strength and length when compared to van der waal's forces and covalent bonds. A hydrogen bond is mainly formed between a donor atoms such as an amine, which acts as a ligand, or a lewis base and acceptor atom like carboxylic acid. The larger ...
It is possible to treat bond distances of covalent C-H bonds and CH hydrogen bonds simultaneously assuming a logarithmic relationship with the electron den... I Alkorta,I Rozas,J Elguero - 《Structural Chemistry》 被引量: 220发表: 1998年 Bond-order–bond-length–bond-strength (bond-OLS) cor...
Does the Intramolecular Hydrogen Bond Affect the Spectroscopic Properties of Bicyclic Diazole Heterocycles? The calculated hydrogen bond length and bond angle are 2.82429 [Angstrom] and 170.793[degrees], respectively, which is very consistent with the corresponding structural parameters of single crystal. ...
The hydrogen is found to bind to the Os in a sideways fashion. The potential energy surface with respect to the H-H stretch is predicted to be extremely shallow; thus, electron correlation accounted for at the MP2 level of theory has a large effect on bot-h the H-H bond length and ...
The levels of theory used include second order Moller Plesset and density functional methods. The molecules investigated ranges from small molecules/ions to an alanine octa-peptide. The hydrogen bond length, BL, varies from 1.15 to 3.01 Aring and rho b, the electron density at the bond critical...
How is bonding molecular orbital of hydrogen different from the antibo... 01:18 How is bond length related to the stability of a molecule ? 01:36 Which type of atomic orbitals can overlap to from molecular orbitals ? 01:37 Which our of O(2)^(+)and O(2)^(-) is more stable on th...
美 英 un.键长;钢筋锚着长度 英汉 网络释义 un. 1. 键长 2. 钢筋锚着长度 释义: 全部,键长,钢筋锚着长度
In the present work, we introduce two new metrics i.e. hydrogen-bond strength and charge-transfer between the donor/acceptor water molecules as a measure of hydrogen-bond rearrangement dynamics. Further, we also employ a simple model based on energy flux