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However, in contrast to the PhCl⋯NH3 system, calculations predict that the structure of the reactive intermediate corresponds to a distonic ion-radical complex, where the radical density is largely localized on the bromine atom.
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Density functional theory (DFT) calculations predict double-bond structures [29, 30], whereas ab initio Hartree-Fock (HF) results favor alternating bond systems [15 18, 27].
Signal calculations predict superior performance from DW-SSFP across a broad range of protocols and conditions.
ADMET calculations predict modified drugs to have improved pharmacokinetic properties.
Our calculations predict γ ≈ 1.42 J/m2 regardless of the interfacial stoichiometry.
Specifically, even highly conservative theoretical calculations predict a volumetric event rate roughly an order of magnitude above common observational estimates.
Why doesn't the BLA provide more of a lifeline than these calculations predict?
Calculations predict a planar geometry for the pure clusters.
Theoretical calculations predict an event horizon to all black holes, obscuring the central region in accordance with General Relativity.
DFT calculations predicted the binding energy value for hydrogen storage in this system is suitable at low-temperature condition.
The calculations predicted a lowest temperature of 10 K.
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