Theoretical analysis based on X–H bonding strength and electronic properties in red- and blue-shifting hydrogen-bonded X–H⋯π complexes

2011 ◽  
Vol 13 (4) ◽  
pp. 1552-1559 ◽  
Author(s):  
Oscar Donoso-Tauda ◽  
Pablo Jaque ◽  
Juan C. Santos
Keyword(s):  
Theoretical Analysis ◽  
Electronic Properties ◽  
Bonding Strength ◽  
Hydrogen Bonded

Electronic properties of N-rich graphene nano-chevrons.

2021 ◽  
Author(s):  
Anderson Soares da Costa Azevêdo ◽  
Aldilene Saraiva-Souza ◽  
Vincent Meunier ◽  
Eduardo Costa Girão
Keyword(s):  
Density Functional Theory ◽  
Magnetic Properties ◽  
Theoretical Analysis ◽  
Electronic Properties ◽  
Density Functional ◽  
Functional Theory ◽  
Nitrogen Doped ◽  
Electronic And Magnetic Properties ◽  
Nitrogen Doped Graphene ◽  
Doped Graphene

Theoretical analysis based on density functional theory is used to describe the microscopic origins of emerging electronic and magnetic properties in quasi-1D nitrogen-doped graphene nanoribbon structures with chevron-like (or wiggly-edged)...

Electrochemical elucidation of Co0.5M0.5V2O4 (M = Fe or Zn) nanocomposite anode materials for Li-ion storage

2020 ◽  
Vol 4 (11) ◽  
pp. 3349-3360
Author(s):  
Rasu Muruganantham ◽  
Jeng-Shin Lu ◽  
Bor Kae Chang ◽  
Po Kai Wang ◽  
Wei-Ren Liu
Keyword(s):  
Theoretical Analysis ◽  
Electronic Properties ◽  
Anode Materials ◽  
Lithium Ion ◽  
Ion Storage ◽  
Li Ion

Stoichiometric spinel-structured Co0.5M0.5V2O4 (M = Fe or Zn) nanocomposites as novel anode materials for lithium-ion storage and their electronic properties via theoretical analysis.

Structural and Electronic Properties of Extremely Long Perylene Bisimide Nanofibers Formed through a Stoichiometrically Mismatched, Hydrogen-Bonded Complexation

Small ◽  
2010 ◽  
Vol 6 (23) ◽  
pp. 2731-2740 ◽  
Author(s):  
Shiki Yagai ◽  
Tomohiro Seki ◽  
Haruno Murayama ◽  
Yusuke Wakikawa ◽  
Tadaaki Ikoma ◽  
...  
Keyword(s):  
Electronic Properties ◽  
Perylene Bisimide ◽  
Structural And Electronic Properties ◽  
Hydrogen Bonded

Experimental and theoretical analysis of hydrogen bonded polar system of isobutanol and isobutyraldehyde

2007 ◽  
Vol 135 (1-3) ◽  
pp. 90-95 ◽  
Author(s):  
T. Vishwam ◽  
M. Chitra ◽  
V. Subramanian ◽  
V.R.K. Murthy
Keyword(s):  
Theoretical Analysis ◽  
Polar System ◽  
Hydrogen Bonded

scholarly journals Electronic Properties of NbSe2 over Graphene: A Meticulous Theoretical Analysis

OALib ◽  
2017 ◽  
Vol 04 (05) ◽  
pp. 1-9 ◽  
Author(s):  
Donald Homero Galvan ◽  
Joel Antúnez-García ◽  
Sergio Fuentes Moyado
Keyword(s):  
Theoretical Analysis ◽  
Electronic Properties

Using Sanderson's Principle to Estimate Global Electronic Properties and Bond Energies of Hydrogen-Bonded Complexes

2000 ◽  
Vol 104 (39) ◽  
pp. 8955-8964 ◽  
Author(s):  
Soledad Gutiérrez-Oliva ◽  
Pablo Jaque ◽  
Alejandro Toro-Labbé
Keyword(s):  
Electronic Properties ◽  
Bond Energies ◽  
Bonded Complexes ◽  
Hydrogen Bonded
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