Sentence examples for energetically low from inspiring English sources

The incorporated redox sites have energetically low molecular orbitals which can align with the Fermi levels of the electrodes.

Cluster analyses of energetically low lying conformations have indicated the presence of several key conformations that are populated in the gas phase and with implicit water solvation.

Other large gradient basins are usually centered at energetically low local minima, and their basin size is in general highly specific for the underlying sequence.

Structural properties of energetically low-lying isomers of the isolated Al4O4 molecular system have been investigated by theoretical ab initio techniques within the Hartree Fock (HF) and second-order Møller Plesset (MP2) frozen core level of approximation and density functional methods (DFT) employing the Becke-3 Perdew-86 (Becke-3 Perdew-86ctional.

The energetically lowest peaks at −5.6 and −7.9 eV for Nb3Al and Nb3Sn, respectively, are due to the s-states of the B-type atoms.

Optimizations on all possible electron-spin isomers find that the triplet, quintet and quintet states are energetically lowest for Um2Pz2 (m = II, III and IV), respectively.

The two energetically lowest of these stationary points, a singlet of planar D2h and a triplet of cubic Td symmetry, are furthermore sifted by considering other choices of exchange (B, B3) and correlation (LYP, PW91) functionals as well as higher levels of theory (G2/MP2, G2, and CCSD(T), D2h only).

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.

Starch is an energetically low-cost storage metabolite, which through respiration functions as an energy source when photosynthesis is impaired.

9, 15– 17 For the transition, we study three butane potentials of growing energy barrier height between rotamers to represent increasingly distinct energetically low-lying substates.

While the pure barrier tree dynamics resembles the overall dynamics of the two energetically lowest macro-states of the exact model well, it shows significant differences for states populated at lower extent.