Sentence examples for molecular field coefficient from inspiring English sources

The molecular field coefficient γ of these samples takes reasonable value.

where J is the total electronic angular momentum, g is the Lande g value of the magnetic ion, μB is the Bohr magneton constant, N is the number of cation sites per gram, kB is the Boltzmann constant, γ is the Weiss molecular field coefficient, and T is the temperature of ambient.

In Weiss' original theory, the molecular field coefficient γ has a positive value, and it is perfectly well understood that the molecular field, having a finite and positive value when the atomic moments are all parallel and in the same direction, can cause this ordered state [28].

The results indicate that the built 3D-QSAR models yield reliable statistical information: the correlation coefficient (r2) and cross-validation coefficient (q2) of CoMFA (comparative molecular field analysis) are 0.992 and 0.819; the r2 and q2 of CoMSIA (comparative molecular similarity analysis) are 0.992 and 0.863, respectively.

The PPO inhibition activities of 29 newly synthesized compounds were tested and a predictive comparative molecular field analysis (CoMFA) model was established with the conventional correlation coefficient r2 = 0.980 and the cross-validated coefficient q2 = 0.518.

The established 3D-QSAR model from the comparative molecular field analysis (CoMFA) in training set shows not only significant statistical quality, but also satisfying predictive ability, with high correlation coefficient value (R2 = 0.910) and cross-validation coefficient value (q2 = 0.705).

comparative molecular field analysis.

Comparative molecular field analysis (CoMFA). 1.

Next, molecular field maps are calculated for each receptor.

A comparative molecular field analysis (CoMFA) model was constructed.

The studies include Comparative Molecular Field Analysis (CoMFA) and Comparative Molecular Similarity Indices Analysis (CoMSIA).