Now showing items 1-10 of 383
Structure and function of channels and channelogs as studied by computational chemistry
Modified genetic algorithms to model cluster structures in medium-sized silicon clusters: Si18 - Si60
This paper presents the results obtained using a genetic algorithm (GA) to search for stable structures of medium-size silicon clusters. This is the third report in which a GA coupled with the MSINDO semiempirical molecular ...
Modified genetic algorithms to model cluster structures in medium-size silicon clusters
(American Physical Society, 2004)
Genetic algorithms (GA) were used to investigate the stable isomers of silicon clusters. In order to find the cluster structures, a semiempirical energy function was used by the GA that were further optimized using ...
Fine-tuning PERK singnaling to control cell fate under stress
(Nature Publishing Group, 2017)
PERK is a major sensor of the unfolded protein response controlling cell fate under endoplasmic reticulum (ER) stress. A new study reveals an additional step for optimal PERK signaling, involving the binding of CNPY2 to ...
Structure and development of the egg of the glossiphoniid leech Theromyzon rude: Characterization of developmental stages and structure of the early uncleaved egg
Some aspects of the reproductive biology of the glossiphoniid leech, Theromyzon rude, under laboratory conditions, and the staging and structure of its uncleaved egg were studied. Sexually mature animals form breeding ...
Molecular orbital calculations of binuclear systems of Fe, Co and Ni derivatives of pentalene, s-indacene and as-indacene
Extended Hückel calculations on a whole family of dinuclear complexes of pentalene, s-indacene and as-indacene allow a general rationalization of the structural and physical features of these compounds, mainly based on ...
The crystal structure of the hydrogen bonded molecular adduct thiobisphthalimide diphenylamine
The structure of the complex (PHL)2S. HN(C6H5)2 has been determined by single-crystal X-ray diffraction methods. The compound crystallizes in the triclinic system, space group P 1, with unit cell dimensions a = 896. 1, b ...