The 384 keV beta transition in the decay of<sup>177</sup>Lu

Reddy, B.V.; Raju, M.; Sastry, D.L.

doi:10.1088/0305-4616/1/6/010

Cited by 15 publications

(21 citation statements)

References 14 publications

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“…The amount of charge transferred to the cation has been considered as an important parameter related with the stability of the cation-π complexes. 18 In the systems studied in the present work, the change in cation charge is a minor effect in the outer complexes (Table 4). However, the change in cation charge is more important when the cation is inside the bowl and there is an inverse relationship between the charge transferred to the cation and the stability of the inner complexes.…”

Section: ' Introductionmentioning

confidence: 73%

“…This trend is opposite to the one previously observed in other complexes of cations with linear and cyclic (not curved) π systems. 18 To obtain more insight on the nature of the interaction, a simplified partition method has been implemented to examine the relative importance of the major contributions to the interaction energy, especially inductive and electrostatic. For this purpose, we have used the results of two complementary electronic calculations.…”

Section: ' Introductionmentioning

confidence: 99%

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DFT Study of the Interaction between Alkaline Cations and Molecular Bowls Derived from Fullerene

2011

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A systematic study of the interaction of alkaline cations with curved π systems (molecular bowls) derived from fullerene (C(60)) shows the ability of these structures to form stable cation-π complexes with both of their sides: concave and convex. In all cases, complexes with the cation in the convex side are more stable than its corresponding partner inside the bowl. When forming the complexes with the alkaline cations, these bowls exhibit great stability but several descriptors that usually work in planar conjugate molecules (like the magnitude of the charge transferred to the cation or the cation-ligand distance) do not properly describe the trends observed. The present study shows that with these curved π systems inductive effects play a central role in the formation of complexes with alkaline cations. This conclusion contradicts the simplistic point of view on the dominant effect of the electrostatic term in the interaction between alkaline cations and bowls derived from fullerene. Additionally, steric effects can be relevant when bulky cations are placed in the concave side of the largest bowls.

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Section: ' Introductionmentioning

confidence: 73%

Section: ' Introductionmentioning

confidence: 99%

DFT Study of the Interaction between Alkaline Cations and Molecular Bowls Derived from Fullerene

2011

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“…The hadron phase should be also treated more realistically; for example, we should include the hyperons or kaons in hadron matter. In the recent studies the mixed phase has been also studied 42), 43) in the context of various phases in the color superconducting phase.…”

Section: )mentioning

confidence: 99%

Charge Screening Effect in the Hadron-Quark Mixed Phase

Endo¹,

Maruyama²,

Chiba³

et al. 2006

Progress of Theoretical Physics

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The Coulomb interaction effect and the surface effect are consistently taken into account in the hadron-quark mixed phase. These two finite-size effects greatly change the properties of the mixed phase and restrict its density region. In particular, the charge screening effect and the rearrangement of the charged particles are elucidated. Keeping the Gibbs conditions throughout the numerical procedure, we show the Maxwell construction effectively regain the physical meaning and the equation of state becomes similar to that given by the Maxwell construction.

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“…In particular, the interaction between cations and Bz have been thoroughly investigated (cation-π interactions). 4,[22][23][24][25] Moreover, noncovalent interactions between cations and aromatic molecules are of great importance in several research fields as, for instance, in the investigation of cation receptors and of biomolecules. 12,26 Less attention has been paid to the study of the noncovalent interactions between an anion and aromatic compounds (anion-π interactions), strongly affected by dispersion energies which, to be accurately described by ab initio calculations, require the use of large basis sets to include properly the electron correlation.…”

Section: Introductionmentioning

confidence: 99%

A Generalized Formulation of Ion−π Electron Interactions: Role of the Nonelectrostatic Component and Probe of the Potential Parameter Transferability

et al. 2010

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The intermolecular potentials for hexafluorobenzene (HFBz) and 1,3,5-trifluorobenzene (TFBz) interacting with alkali (M(+); M = Li, Na, K, Rb, Cs) and halogen (X(-); X = F, Cl, Br, I) ions are provided as a combination of electrostatic and nonelectrostatic terms. The ion-HFBz and ion-TFBz electrostatic components are formulated as a sum of Coulombic potentials associated with the interactions between the ion charge and point charges on the molecular frame, whose distributions are consistent with the permanent quadrupole moment of HFBz and TFBz, respectively. The corresponding nonelectrostatic components are represented as a sum of effective potential functions, each one having a specific physical meaning, related to ion-molecular bond pair interactions. In the present paper, we test the transferability of the ion-bond potential parameters. Moreover, the powerfulness of the model is analyzed by comparing predicted binding energies and equilibrium geometries for the family of M(+)-HFBz, X(-)-HFBz, M(+)-TFBz, and X(-)-TFBz systems with available ab initio results.

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The 384 keV beta transition in the decay of¹⁷⁷Lu

Cited by 15 publications

References 14 publications

DFT Study of the Interaction between Alkaline Cations and Molecular Bowls Derived from Fullerene

DFT Study of the Interaction between Alkaline Cations and Molecular Bowls Derived from Fullerene

Charge Screening Effect in the Hadron-Quark Mixed Phase

A Generalized Formulation of Ion−π Electron Interactions: Role of the Nonelectrostatic Component and Probe of the Potential Parameter Transferability

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The 384 keV beta transition in the decay of177Lu

Cited by 15 publications

References 14 publications

DFT Study of the Interaction between Alkaline Cations and Molecular Bowls Derived from Fullerene

DFT Study of the Interaction between Alkaline Cations and Molecular Bowls Derived from Fullerene

Charge Screening Effect in the Hadron-Quark Mixed Phase

A Generalized Formulation of Ion−π Electron Interactions: Role of the Nonelectrostatic Component and Probe of the Potential Parameter Transferability

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The 384 keV beta transition in the decay of¹⁷⁷Lu