Understanding the charge density distribution and the electrostatic properties of hexadecane molecular nanowire under electric field using DFT and AIM theory

2012 ◽  
Vol 992 ◽  
pp. 9-17 ◽  
Author(s):  
K. Selvaraju ◽  
M. Jothi ◽  
P. Kumaradhas
Keyword(s):  
Electric Field ◽  
Density Distribution ◽  
Charge Density ◽  
Charge Density Distribution ◽  
Aim Theory ◽  
Electrostatic Properties

Charge density distribution and electrostatic interactions of ethionamide: an inhibitor of the enoyl acyl carrier protein reductase (inhA) enzyme of Mycobacterium tuberculosis

RSC Advances ◽  
2014 ◽  
Vol 4 (101) ◽  
pp. 57823-57833 ◽  
Author(s):  
G. Rajalakshmi ◽  
Mysore S. Pavan ◽  
P. Kumaradhas
Keyword(s):  
Mycobacterium Tuberculosis ◽  
Density Distribution ◽  
Charge Density ◽  
Intermolecular Interactions ◽  
Electrostatic Interactions ◽  
Acyl Carrier Protein ◽  
Carrier Protein ◽  
Charge Density Distribution ◽  
Electrostatic Properties ◽  
Density Analysis

The experimental and theoretical charge density analysis of ethionamide molecule provides the topological and the electrostatic properties, which allows the understanding of the nature of intra- and intermolecular interactions.

Electric-field behavior and charge-density distribution in semi-insulating gallium arsenide Schottky diodes

1997 ◽  
Vol 56 (15) ◽  
pp. 9201-9204 ◽  
Author(s):  
A. Castaldini ◽  
A. Cavallini ◽  
L. Polenta ◽  
C. Canali ◽  
C. del Papa ◽  
...  
Keyword(s):  
Gallium Arsenide ◽  
Electric Field ◽  
Density Distribution ◽  
Charge Density ◽  
Schottky Diodes ◽  
Charge Density Distribution ◽  
Field Behavior
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