The introduction to the English-language edition of the Star Film Company catalog announced: "In opening a factory and office in New York we are prepared and determined energetically to pursue all counterfeiters and pirates.
The energy barriers and reaction heats were obtained to determine the energetically favorable reaction pathways.
Total energies of nonmagnetic (NM), ferromagnetic (FM), and antiferromagnetic (AFM) states are compared for each semihydrogenated group-IV monolayers with chair configuration to determine the energetically most stable state.
In this paper, we proposed a new idea to improve the quality of the pharmacophore model: the multiple copy simultaneous search (MCSS) method was performed to determine the energetically favorable distribution of functional groups with similar features to these pharmacophoric points in the active site of Bcl-2 first.
We determine the energetically lowest configurations for decorations with a varying number of decorating atoms (2≤n≤32) for alkali metals, alkaline-earth metals as well as some other important elements and find that the dense uniform distribution of the decorating atoms over the surface of the C60, desired for hydrogen storage, can be obtained only for a few elements.
We therefore carried out molecular dynamics simulations of the two component structures and of the composite assembly, to determine whether energetically minor adjustments could resolve the remaining clashes.
In addition, the dispersion energy of all investigated compounds plays a leading role in determining the energetically accessible stacking motifs.
Following the identification of a structurally determined and energetically most favorable orientation, we analyzed the two sides of SNARE complex that face the v- and t-membranes, respectively, by following this putative preferred orientation.
To determine the most energetically favorable model, adsorption energy (Eads), which is defined as reversible energy needed to separate an adsorption system into a Ni-doped surface (Esurf) and free hydrogen (EH), is calculated using the following equation: Δ E ads = E H + surf − E surf − E H. (1).
No attempt was made to reconstruct the amide hydrogen positions as for main chain hydrogen bonds in highly resolved proteins, the heavy atom distance criterion is generally sufficient on its own to determine whether an energetically favourable hydrogen bond is formed.
