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The molecular electronic structures and electron densities around these functional groups are the key structural features that determine the effectiveness of inhibition[10, 11, 12].
A series of phenyl substituted bi-1,3,4-oxadiazole derivatives were designed and synthesized; the effect of substituent on the photophysical properties and molecular electronic structures was fully studied by the combination of experimental techniques and theoretical calculations.
Table 7 provides some quantum chemical parameters related to the molecular electronic structures of four predominant components of CA extract obtained from Fig. 9.
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UV resonance Raman scattering is uniquely sensitive to the molecular electronic structure as well as intermolecular interactions.
The molecular electronic structure influences the subtle energetics of interaction of the nuclear spin magnetic moments.
The emphasis is on basic principles of atomic and molecular electronic structure, thermodynamics, acid-base and redox equilibria, chemical kinetics, and catalysis.
Emphasis is on basic principles of atomic and molecular electronic structure, thermodynamics, acid-base and redox equilibria, chemical kinetics, and catalysis.
Conceptually different from the surface dipole at metal surfaces, its origin lies in details of the molecular electronic structure and its magnitude depends on the orientation of molecules relative to the surface of an ordered assembly.
Electrochemistry thus represents an important experimental approach to the description and understanding of the molecular electronic structure and redox properties.
The dependence of the molecular electronic structure of the gold molecule complexes on the external electric field has been also studied.
This additional information is a significant improvement in using experimental values to obtain insights into different aspects of molecular electronic structure.
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