Molecular Electronic Properties of a Series of 4-Quinolinecarbinolamines Define Antimalarial Activity Profile

1996 ◽  
Vol 39 (23) ◽  
pp. 4622-4629 ◽  
Author(s):  
Apurba K. Bhattacharjee ◽  
Jean M. Karle
Keyword(s):  
Electronic Properties ◽  
Antimalarial Activity ◽  
Molecular Electronic ◽  
Activity Profile

scholarly journals Proton-triggered switch based on a molecular transistor with edge-on gate

2016 ◽  
Vol 7 (5) ◽  
pp. 3137-3141 ◽  
Author(s):  
Lianwei Li ◽  
Wai-Yip Lo ◽  
Zhengxu Cai ◽  
Na Zhang ◽  
Luping Yu
Keyword(s):  
Electronic Properties ◽  
Molecular Wires ◽  
Molecular Electronic ◽  
Molecular Transistor

The effect of protonation on the molecular electronic properties of five pyridinoparacyclophane (PPC)-based molecular wires was investigated. The protonation/deprotonation process can reversibly switch the electronic properties of the molecules.

SINGLE WALL BAMBOO SHAPED CARBON NANOTUBE: A MOLECULAR DYNAMICS AND ELECTRONIC STUDY

2006 ◽  
Vol 17 (02) ◽  
pp. 187-196 ◽  
Author(s):  
OSMAN BARIŞ MALCIOĞLU ◽  
EMRE TAŞCI ◽  
ŞAKİR ERKOÇ
Keyword(s):  
Carbon Nanotubes ◽  
Molecular Dynamics ◽  
Thermal Stability ◽  
Carbon Nanotube ◽  
Electronic Properties ◽  
Coordination Number ◽  
Structural Model ◽  
Molecular Dynamics Method ◽  
Molecular Electronic ◽  
Dynamics Method

Thermal stability and molecular electronic properties of a single walled, bamboo shaped carbon nanotube has been investigated. Molecular dynamics method is applied to investigate thermal stability, and electronic properties are calculated at the Extended Huckel level. Although bamboo shaped carbon nanotubes observed in experimental literature are multi-walled, it is shown that the suggested structural model in this work, which is single-walled, is also both thermodynamically and energetically stable. Bamboo shape of the model investigated is due to periodical coronene-like spacers. The resultant structure is compartmented, having geometrical aberrations in the vicinity of spacers. There is no degradation in the average coordination number. The geometrical aberrations in the vicinity of spacers is due to curvature induced by the pentagons of the resultant geometry.

The molecular electronic properties of a novel tetraphenylporphyrin derivative †

1994 ◽  
Vol 77 (6) ◽  
pp. 957-962 ◽  
Author(s):  
M. B. GRIEVE ◽  
T. RICHARDSON ◽  
A. J. HUDSON ◽  
R. A. W. JOHNSTONE ◽  
A. J. F. N. SOBRAL ◽  
...  
Keyword(s):  
Electronic Properties ◽  
Molecular Electronic
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