Bonding and Electronic Structure in Consanguineous and Conjugal Iron and Rhenium sp Carbon Chain Complexes [MC4M‘]n+:  Computational Analyses of the Effect of the Metal

2003 ◽  
Vol 125 (31) ◽  
pp. 9511-9522 ◽  
Author(s):  
Haijun Jiao ◽  
Karine Costuas ◽  
John A. Gladysz ◽  
Jean-François Halet ◽  
Maud Guillemot ◽  
...  
Keyword(s):  
Electronic Structure ◽  
Carbon Chain ◽  
Chain Complexes ◽  
Computational Analyses

Synthesis and redox chemistry of cycloheptatrienyl molybdenum carbon-chain complexes featuring diimine support ligands: [Mo{(CC)nCCR}(R′NCH–CHNR′)(η-C7H7)], (n = 0 or 1)

2013 ◽  
Vol 745-746 ◽  
pp. 251-257 ◽  
Author(s):  
Huriyyah A. Alturaifi ◽  
James Faulkner ◽  
James Raftery ◽  
Floriana Tuna ◽  
David Collison ◽  
...  
Keyword(s):  
Redox Chemistry ◽  
Carbon Chain ◽  
Chain Complexes

The series of carbon-chain complexes {Ru(dppe)Cp∗}2{μ-(C C) } (x= 4–8, 11): Synthesis, structures, properties and some reactions

Polyhedron ◽  
2015 ◽  
Vol 86 ◽  
pp. 43-56 ◽  
Author(s):  
Michael I. Bruce ◽  
Marcus L. Cole ◽  
Benjamin G. Ellis ◽  
Maryka Gaudio ◽  
Brian K. Nicholson ◽  
...  
Keyword(s):  
Carbon Chain ◽  
Chain Complexes

Influence of defects in the carbon chain on the electronic structure and the relative stability of carbyne type macromolecules

1988 ◽  
Vol 28 (4) ◽  
pp. 479-482
Author(s):  
D. A. Bochvar ◽  
I. V. Stankevich ◽  
E. G. Gal'pern ◽  
R. Sh. Bakuradze
Keyword(s):  
Electronic Structure ◽  
Relative Stability ◽  
Carbon Chain

Combined Experimental and Computational Analyses on the Electronic Structure of Alluaudite-Type Sodium Iron Sulfate

2016 ◽  
Vol 120 (41) ◽  
pp. 23323-23328 ◽  
Author(s):  
Gosuke Oyama ◽  
Hisao Kiuchi ◽  
Sai Cheong Chung ◽  
Yoshihisa Harada ◽  
Atsuo Yamada
Keyword(s):  
Electronic Structure ◽  
Iron Sulfate ◽  
Computational Analyses

Electronic structure of higher acenes and polyacene: The perspective developed by theoretical analyses

2010 ◽  
Vol 82 (4) ◽  
pp. 905-915 ◽  
Author(s):  
Holger F. Bettinger
Keyword(s):  
Electronic Structure ◽  
Density Functional ◽  
Functional Theory ◽  
Complete Active Space ◽  
Consistent Field ◽  
Theoretical Investigations ◽  
Self Consistent ◽  
Self Consistent Field ◽  
Computational Analyses ◽  
Theoretical Analyses

The hypothetical polymer obtained by linear annelation of benzene units, polyacene (PAC) (C4H2)n, has received considerable attention over the last 50 years. This interest is due to the unusual electronic structure that is assumed to result in usual physical properties. The review summarizes the theoretical investigations of PAC research. The most recent computational analyses available in the literature are based on density functional theory (DFT) for PAC and on the complete active space self-consistent field (CASSCF) method for oligoacenes and suggest an undistorted symmetrical structure with an antiferromagnetic (AFM) coupling of electrons.

Electronic structure and transport of a carbon chain between graphene nanoribbon leads

2010 ◽  
Vol 23 (2) ◽  
pp. 025302 ◽  
Author(s):  
G P Zhang ◽  
X W Fang ◽  
Y X Yao ◽  
C Z Wang ◽  
Z J Ding ◽  
...  
Keyword(s):  
Electronic Structure ◽  
Carbon Chain ◽  
Graphene Nanoribbon

scholarly journals Olfactory experience shapes the evaluation of odour similarity in ants: a behavioural and computational analysis

2016 ◽  
Vol 283 (1837) ◽  
pp. 20160551 ◽  
Author(s):  
Margot Perez ◽  
Thomas Nowotny ◽  
Patrizia d'Ettorre ◽  
Martin Giurfa
Keyword(s):  
Differential Conditioning ◽  
Carbon Chain ◽  
Carbon Chain Length ◽  
Perceptual Similarity ◽  
Olfactory Conditioning ◽  
Olfactory Experience ◽  
Generalization Gradients ◽  
The One ◽  
Computational Analyses ◽  
New Hypothesis

Perceptual similarity between stimuli is often assessed via generalization, the response to stimuli that are similar to the one which was previously conditioned. Although conditioning procedures are variable, studies on how this variation may affect perceptual similarity remain scarce. Here, we use a combination of behavioural and computational analyses to investigate the influence of olfactory conditioning procedures on odour generalization in ants. Insects were trained following either absolute conditioning, in which a single odour (an aldehyde) was rewarded with sucrose, or differential conditioning, in which one odour (the same aldehyde) was similarly rewarded and another odour (an aldehyde differing in carbon-chain length) was punished with quinine. The response to the trained odours and generalization to other aldehydes were assessed. We show that olfactory similarity, rather than being immutable, varies with the conditioning procedure. Compared with absolute conditioning, differential conditioning enhances olfactory discrimination. This improvement is best described by a multiplicative interaction between two independent processes, the excitatory and inhibitory generalization gradients induced by the rewarded and the punished odour, respectively. We show that olfactory similarity is dramatically shaped by an individual's perceptual experience and suggest a new hypothesis for the nature of stimulus interactions underlying experience-dependent changes in perceptual similarity.

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