Sentence examples for between molecular structures and from inspiring English sources

The relationship between molecular structures and optoelectronic properties is discussed experimentally and theoretically.

This review highlights the recent development of electroluminescent europium III) complexes, with emphasis on correlations between molecular structures and optoelectronic performance.

The computer analysis of relations between molecular structures and their biological activity using fragment-based methods is very useful to draw conclusions for the understanding of drug action and for the development of more efficient non-toxic drug candidates.

In order to establish the mathematical basis for connections between molecular structures and physicochemical properties of chemical compounds, some so-called structure-descriptors or "topological indices" have been put forward.

The quantitative structure property relationship (QSPR) studies were performed between molecular structures and impact sensitivity for a diverse set of nitro energetic compounds based on three-dimensional (3D) descriptors.

A series of core-expanded naphthalene diimides (NDI-DTYM) and thiophene-based derivatives (1a c) were designed and synthesized to investigate the relationship between molecular structures and the highest occupied molecular orbital (HOMO) energy levels but has little impact on the lowest unoccupied molecular orbital (LUMO) energy levels.

For both subsets, descriptive and predictive QSAR models are derived, discussed and externally validated, revealing general trends in relationships between molecular structure and binding affinity constants in structurally diverse datasets.

Relationship between molecular structure and their inhibition efficiency was elucidated by quantum chemical calculations.

In addition, adsorption mechanism and relationship between molecular structure and IE are examined by quantum-chemical calculations.

To accomplish this goal, a deep understanding of the connection between molecular structure and the solid-state property is needed.

This research is based on the assumption that there is an underlying relationship between molecular structure and properties.