1995 ◽  
Vol 14 (3) ◽  
pp. 1001-1003 ◽  
Author(s):  
D. Loakes ◽  
F. Hill ◽  
S. Linde ◽  
D. M. Brown
Keyword(s):  

2006 ◽  
Vol 71 (6) ◽  
pp. 899-911 ◽  
Author(s):  
Kathleen Too ◽  
Daniel M. Brown ◽  
Philipp Holliger ◽  
David Loakes

A number of aromatic universal base analogues have been described in the literature, but most are non-hydrogen bonding. We have examined the effect of introducing hydrogen bonding carboxamide groups onto the pyrrole ring of 5-nitroindole. The modified analogues retain universal base features, but there are no overall effects on duplex stability. This leads to the suggestion that the nitro group is within the hydrogen bonding face of the duplex, and the hydrogen bonding carboxamide group is in the duplex major groove.


1992 ◽  
Vol 70 (2) ◽  
pp. 580-588 ◽  
Author(s):  
R. Custodio ◽  
J. D. Goddard ◽  
M. Giordan ◽  
N. H. Morgon

The Simplex method was used to define atomic and universal meshes using the integral discretization technique for the Griffin–Hill–Wheeler-Hartree–Fock equations. This technique represents a basis set as an exponential set of the form:[Formula: see text]For atoms, the minimum total energy criterion was employed. For the universal basis, three different procedures were tested: (a) defining the universal basis using information on the isolated atoms, (b) determining the universal Ω0(k) through atomic calculations and reoptimizing the ΔΩ(k) for different symmetries employing simultaneously a single atomic calculation as a reference point, and (c) optimizing the universal mesh using a statistical criterion such as the squares of the deviations of the total energy. The meshes obtained by the minimum total energy criterion or the squares of deviations of the total energy for the universal basis are accurate for the total energy but the weight functions are deficient in the valence region. Shifting the optimized Ω0(k) to [Formula: see text], fixing [Formula: see text], and reoptimizing ΔΩ(k) for each symmetry species produces a better description of weight functions at the expense of a less accurate total energy. In general, no significant statistical difference was observed for the various universal bases generated by procedures (a) and (b) or by (c) provided the shift correction was made to the latter. Application of these bases to diatomic molecules (N2, CO, P2, CS) showed that the universal bases are as accurate as those optimized for atomic systems. If the bases are transferred from atoms to molecules, the shift corrections to the weight functions of the atoms are not useful in molecular calculations. The almost equivalent molecular properties and the good total energies show that the best basis for molecular calculations is that optimized by procedure (c). Keywords: universal basis sets, integral discretization technique.


2002 ◽  
pp. 2206-2207 ◽  
Author(s):  
Kathryn A. Frey ◽  
Stephen A. Woski

2020 ◽  
Vol 23 ◽  
Author(s):  
Muhammadgali Abduov ◽  
Nazilya Abduova ◽  
Nicolae Stanciu

In this article, the function of aphorisms in folk song, which also contains lyrical and dramatic elements, is analysed and defined through cultural (mostly folklore) literature, and linguistic methods. The main purpose of this paper is to show the role of the gnomic words generated by folk creators in an epic poem’s plot, their main functions in the development of conflict and the aesthetic expression of the work. Therefore, the meaning of symbols has been interpreted in close connection with the actions, archetypes and metaphors inserted in the structure of the song. Using as an example the song “Kyz Zhybek”, which is a prominent creation in Kazakh folklore, and reviewing research papers on the subject, the present article follows the contrastive analysis in researching the echoes of archetypal traditions in a Muslim cultural frame. Ethnos in culture remains in an attempt to recover the identity of a group using what seems specific in folklore, history, and linguistics and to track them in an original ideology articulated on national and universal bases. This paper may help researchers when studying folklore heritage, with understanding the scope of using the aphorisms and the main function actualised by them in folk literature. In addition, the role of aphorisms in a folk song is systematised, and their historical and identity significance is underlined.


1999 ◽  
Vol 1 (10) ◽  
pp. 1639-1641 ◽  
Author(s):  
Hemavathi Challa ◽  
Melanie L. Styers ◽  
Stephen A. Woski

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