Theoretical Investigation of the Structural Properties of Two Crotamines Isolated from the Venom of Crotalus durissus

2010 ◽  
Vol 4 (1) ◽  
pp. 16-20 ◽  
Author(s):  
Antônio Flávio de C. Alcântara ◽  
Dorila Piló-Veloso ◽  
Antônio José do N. Fernandes ◽  
Maria C. Dos-Santos
Keyword(s):  
Structural Properties ◽  
Theoretical Investigation ◽  
Crotalus Durissus

scholarly journals Effect of Pressure on Valence and Structural Properties of YbFe2Ge2Heavy Fermion Compound—A Combined Inelastic X-ray Spectroscopy, X-ray Diffraction, and Theoretical Investigation

2015 ◽  
Vol 54 (21) ◽  
pp. 10250-10255 ◽  
Author(s):  
Ravhi S. Kumar ◽  
Axel Svane ◽  
Ganapathy Vaitheeswaran ◽  
Venkatakrishnan Kanchana ◽  
Daniel Antonio ◽  
...  
Keyword(s):  
Structural Properties ◽  
Theoretical Investigation ◽  
X Ray Diffraction ◽  
Compound A ◽  
X Ray ◽  
Effect Of Pressure

Experimental and theoretical investigation on the structural properties of GaN grown on sapphire

2003 ◽  
Vol 83 (15) ◽  
pp. 3075-3077 ◽  
Author(s):  
J. Ohta ◽  
H. Fujioka ◽  
M. Oshima ◽  
K. Fujiwara ◽  
A. Ishii
Keyword(s):  
Structural Properties ◽  
Theoretical Investigation

Theoretical investigation on conformational preferences and structural properties of 2-lithio-1,3-diphosphinane and 2-lithio-1,3-dimethyl-1,3-diphosphinane

2012 ◽  
Vol 24 (4) ◽  
pp. 1063-1069 ◽  
Author(s):  
Nafiseh Jalalimanesh ◽  
Fatemeh Saberi Roongiani ◽  
Farnaz Jafarpour ◽  
Ghasem Rezanejade Bardajee
Keyword(s):  
Structural Properties ◽  
Theoretical Investigation ◽  
Conformational Preferences

scholarly journals Theoretical Investigation of Thermodynamical and Structural Properties of 3d Liquid Transition Metals Using Different Reference Systems

2012 ◽  
Vol 2012 ◽  
pp. 1-17 ◽  
Author(s):  
Y. A. Sonvane ◽  
P. B. Thakor ◽  
A. R. Jani
Keyword(s):  
Transition Metals ◽  
Structural Properties ◽  
Theoretical Investigation ◽  
Structure Factor ◽  
Hard Sphere ◽  
Wave Length ◽  
Model Potential ◽  
Vital Role ◽  
Reference Systems ◽  
Liquid Transition

The present paper deals with the theoretical investigation of thermodynamical and structural properties like internal energy (E), entropy (S), Helmholtz free energy (F), isothermal compressibility (χT), specific Heat (CV), structure factor S(q), and long wave length limit S(0) of structure factor of 3d liquid transition metals. To describe electron-ion interaction we have used our newly constructed parameter free model potential. To perform this task, we have used different reference systems like Percus Yevick Hard Sphere (PYHS), One Component Plasma (OCP), and Charged Hard Sphere (CHS) reference systems. We have also seen the influence of different local field correction functions like Hartree (HR), Taylor (TR), and Sarkar et al. (SR) on thermodynamical properties of 3d liquid transition metals. Finally we conclude that the proper choice of the model potential along with reference system plays a vital role in the study of thermodynamical and structural properties of 3d liquid transition metals.

A Theoretical Investigation of the Miscibility and Structural Properties of Inx Aly Ga1−x−y N Alloys

2018 ◽  
Vol 255 (5) ◽  
pp. 1700394 ◽  
Author(s):  
Ranim Mohamad ◽  
Antoine Béré ◽  
Viwanou Hounkpati ◽  
Piero Gamarra ◽  
Jun Chen ◽  
...  
Keyword(s):  
Structural Properties ◽  
Theoretical Investigation
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