Exploring Electronic Properties of Si20-nH20-nPnHeterofullerenes (N= 1, 2, 5, and 10) Based on NMR and NBO Analysis: A DFT Study

2013 ◽  
Vol 189 (1) ◽  
pp. 60-73 ◽  
Author(s):  
Maryam Anafcheh ◽  
Reza Ghafouri
Keyword(s):  
Electronic Properties ◽  
Nbo Analysis ◽  
Dft Study

DFT study of the effect of hidrocarbonated chains on the electronic properties of some oligothiophene derivatives

2009 ◽  
Author(s):  
Manuel Fernández-Gómez ◽  
Amparo Navarro ◽  
MªPaz Fernández-Liencres ◽  
Mónica Moral ◽  
José Manuel Granadino-Roldán ◽  
...  
Keyword(s):  
Electronic Properties ◽  
Dft Study

scholarly journals A DFT Study of Structural and Electronic Properties of ZnS Polymorphs and its Pressure-Induced Phase Transitions

2014 ◽  
Vol 97 (12) ◽  
pp. 4011-4018 ◽  
Author(s):  
Felipe A. La Porta ◽  
Lourdes Gracia ◽  
Juan Andrés ◽  
Júlio R. Sambrano ◽  
Jose A. Varela ◽  
...  
Keyword(s):  
Phase Transitions ◽  
Electronic Properties ◽  
Dft Study ◽  
Structural And Electronic Properties

scholarly journals Vibrational, electronic, spectroscopic properties, and NBO analysis of p-xylene, 3,6-difluoro-p-xylene, 3,6-dichloro-p-xylene and 3,6-dibromo-pxylene: DFT study

Heliyon ◽  
2020 ◽  
Vol 6 (12) ◽  
pp. e05783
Author(s):  
Emmanuel A. Bisong ◽  
Hitler Louis ◽  
Tomsmith O. Unimuke ◽  
Joseph O. Odey ◽  
Emmanuel I. Ubana ◽  
...  
Keyword(s):  
Spectroscopic Properties ◽  
Nbo Analysis ◽  
Dft Study

A Spectroscopic and DFT Study of the Electronic Properties of Carbazole-Based D–A Type Copolymers

2012 ◽  
Vol 116 (40) ◽  
pp. 21255-21266 ◽  
Author(s):  
Matthew E. Reish ◽  
Sanghun Nam ◽  
Wonho Lee ◽  
Han Young Woo ◽  
Keith C. Gordon
Keyword(s):  
Electronic Properties ◽  
Dft Study

Spectral Properties of α and β L Rhamno-Indigo Molecules and Activities Prediction Through NBO Analysis. A DFT Study

2016 ◽  
Vol 230 (5-7) ◽  
Author(s):  
Khadidja Adjir ◽  
Majda Sekkal-Rahal ◽  
Aurélien Moncomble ◽  
Jean-Paul Cornard
Keyword(s):  
Physical Properties ◽  
Spectral Properties ◽  
Nbo Analysis ◽  
Dft Study ◽  
Spectral Features

AbstractStructural and physical properties such as some spectral features of

Energetic and electronic properties of NH3, NO2 and SO2 interacting with GaN nanotube: a DFT study

2021 ◽  
Vol 27 (8) ◽  
Author(s):  
Andrew A. J. Anchieta da Silva ◽  
Caio Vinícius Caetano ◽  
Silvete Guerini
Keyword(s):  
Electronic Properties ◽  
Dft Study

Structural and electronic properties of in-plane phase engineered WSe2: A DFT study

2018 ◽  
Author(s):  
Ankush Bharti ◽  
Pooja Kapoor ◽  
Munish Sharma ◽  
Raman Sharma ◽  
P. K. Ahluwalia
Keyword(s):  
Electronic Properties ◽  
Dft Study ◽  
Structural And Electronic Properties
Sign in / Sign up

Export Citation Format

Share Document