Sentence examples for determination of bond from inspiring English sources

The new approach uses classical HMO calculation for the determination of bond orders, partial charges and bond energies in π-conjugated components.

The widespread use of bond valences for checking new crystal structures has spawned a cottage industry devoted to the determination of bond valence parameters.

Moreover, the sole use of coordination environments of equal bond length is generally not recommended in the determination of bond-valence parameters, as they cannot appropriately model the relation over the full range of bond lengths of the ion pairs.

However, Adams (2001 ▸, 2014 ▸) used the concept of bond softness to argue for the consideration of higher coordination shells in the determination of bond-valence parameters (which he calls softBV parameters) for use in dynamic situations where the use of discrete coordination number is not continuously applicable (e.g. ionic conduction; Adams & Prasada Rao, 2014 ▸).

Advanced quantum mechanical calculations within ab initio molecular orbital theory and density functional theory were performed using gaussian98 programs in quantitative determination of hydrogen bond (H-bond) energies between various model compound pairs.

Such a reaction was predicted to require a weak Co C bond, and Halpern provided the first determination of this bond energy in B12 as a relatively weak 26 kcal/mol.

The software algorithm for determination of double bond stereochemistry works similarly to that described for chiral centers.

Great efforts have been made to develop effective techniques for determination of interfacial bond strength.

This has led to establishing a new predictive model for determination of the bond strength for FRP-to-timber joints.

The determination of the bond stress between two consecutive strain gauges was accomplished through the axial stressed developed in the stainless steel in which Eq. (1) was used.

Generally, the determination of the Bond work index of inhomogeneous materials can be carried out with high deviation using the conventional grindability apparatuses and methods, because of the highly different grindability of components.