Sentence examples for most stable conformations from inspiring English sources
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.
The crystal energy landscape showed that only the two most stable conformations, differing in the position of the p-OH proton, could generate crystal structures within the likely energy range of polymorphism.
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.
The molecular structures of the most stable conformation of [aEMMIM] cation and [aEMMIM][BF4] were optimized at B3LYP/6-311++G (d, p) level.
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.
