Quasichemical analysis of the cluster-pair approximation for the thermodynamics of proton hydration

2014 ◽  
Vol 140 (22) ◽  
pp. 224507 ◽  
Author(s):  
Travis Pollard ◽  
Thomas L. Beck
1992 ◽  
Vol 70 (4) ◽  
pp. 1229-1235 ◽  
Author(s):  
Gang Wu ◽  
Roderick E. Wasylishen ◽  
William P. Power ◽  
Graziano Baccolini

Phosphorus-31 NMR static powder spectra and high-resolution magic angle spinning spectra have been obtained for a new heterocyclic compound, cis-2,10-dimethyl[1,2,3]benzothiadiphospholo[2,3b][1,2,3]benzothiadiphosphole (1), which contains a P(III)—P(III) single bond. The homonuclear 31P–31P dipolar interaction manifests itself in both the magic angle spinning spectra and the non-spinning line shape. Under the AX spin pair approximation, analysis of the spinning sidebands in the MAS experiment yields a full characterization of the two 31P chemical shielding tensors. This approximation is confirmed by the exact powder line shape simulation for a homonuclear spin pair. Analysis of the dipolar subspectra also yields the absolute sign of 1J(P,P), which is found to be negative. Keywords: phosphorus–phosphorus single bond, chemical shielding tensors, dipolar NMR, MAS, static line shape.


1970 ◽  
Vol 48 (23) ◽  
pp. 2804-2808 ◽  
Author(s):  
K. F. Chong ◽  
Y. Nogami ◽  
E. Satoh

The single-particle-energy spectrum of a Λ particle in nuclear matter is examined in the independent-pair approximation, by assuming nonlocal separable potentials for the ΛN interaction. Effects of short-range repulsion in the ΛN interaction on the Λ binding are also examined in terms of separable potentials of rank two.


Author(s):  
Kazuki Kuga ◽  
Masaki Tanaka ◽  
Jun Tanimoto

We successfully establish a theoretical framework of pairwise approximation for the vaccination game in which both the dynamic process of epidemic spread and individual actions in helping prevent social behaviours are quantitatively evaluated. In contrast with mean-field approximation, our model captures higher-order effects from neighbours by using an underlying network that shows how the disease spreads and how individual decisions evolve over time. This model considers not only imperfect vaccination but also intermediate protective measures other than vaccines. Our analytical predictions are validated by multi-agent simulation results that estimate random regular graphs at varying degrees.


1983 ◽  
Vol 411 (2) ◽  
pp. 181-194 ◽  
Author(s):  
Enrico Maglione ◽  
Andrea Vitturi ◽  
Francesco Catara ◽  
Antonio Insolia

Author(s):  
Odo Diekmann ◽  
Hans Heesterbeek ◽  
Tom Britton

This chapter focuses on the myriad ways in which one can model contacts between individuals. The two most important aspects of contacts for infection transmission are (1) the number of contacts per unit of time, and (2) the number of different individuals with whom these contacts occur. Aspect 1 is concerned not only with variation in the number of transmission opportunities during a pairing, but also with the duration of the pairing. Aspect 2 concerns spatial or social networks with variation in the set of potential “contactees.” This could be the entire population, a dynamic subset of the population, or a fixed subset of the population. The remainder of the chapter discusses the new aspects that arise in heterogeneous populations where different types of individuals are recognized; consistency conditions; populations that consist of very many small groups, like a community of households, with intense within-group contact; graphs and networks; and the pair approximation technique.


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