Sentence examples for most stable conformation from inspiring English sources

In order to find the most stable conformation even for titanocenes or cyclodextrins, a conformational analysis by using Conformational Search functionality (HyperChem 5.11) was performed.

The geometries of reactants were fully optimized at the HF/6-31G(d) level to obtain most stable conformation.

Table 6 provides some quantum-chemical parameters related to the molecular electronic structure of the most stable conformation of the molecules.

In the experimental matrix-isolation FT-IR spectrum, the most stable conformation was dominant and at least two non-H-bonded conformations could be identified.

The molecular structures of the most stable conformation of [aEMMIM] cation and [aEMMIM][BF4] were optimized at B3LYP/6-311++G (d, p) level.

For longer polymeric sidechains, the formation energy at the most stable conformation decreases slightly, while the range of 2D correlations extends to markedly reduced densities of surface groups.

The most stable conformations of the dimer and tetramer have been determined as models for their respective polymers.

The most stable conformations of atrazine-monomer complex were selected and the electronic interaction energies of each interaction site were analyzed.

The geometry optimization of titanocene (the most stable conformations) / cyclodextrin (α-, β-, and γ-cyclodextrin) complexes was realized by using the molecular mechanics interactions of the host-guest molecules in vacuum.

Comparison between wild type and ΔHU mutant results (Table 1) indicates that architectural proteins lower the optimal free energy of one conformation, leading to subtle differences of ∼1 kcal/mol between the two most stable conformations.

The structures of flucloxacillin and its metabolites were energy minimized to their most stable conformations.