scholarly journals The infrared vibrational spectrum of andradite-grossular solid solutions: A quantum mechanical simulation

2013 ◽  
Vol 98 (5-6) ◽  
pp. 966-976 ◽  
Author(s):  
M. De La Pierre ◽  
Y. Noel ◽  
S. Mustapha ◽  
A. Meyer ◽  
P. D'Arco ◽  
...  
Keyword(s):  
Vibrational Spectrum ◽  
Solid Solutions ◽  
Quantum Mechanical ◽  
Mechanical Simulation

Phonon limited transport in graphene nanoribbon field effect transistors using full three dimensional quantum mechanical simulation

2012 ◽  
Vol 112 (9) ◽  
pp. 094505 ◽  
Author(s):  
Nima Dehdashti Akhavan ◽  
Gregory Jolley ◽  
Gilberto A. Umana-Membreno ◽  
Jarek Antoszewski ◽  
Lorenzo Faraone
Keyword(s):  
Field Effect ◽  
Field Effect Transistors ◽  
Three Dimensional ◽  
Graphene Nanoribbon ◽  
Quantum Mechanical ◽  
Mechanical Simulation

scholarly journals Characterization of the B-Center Defect in Diamond through the Vibrational Spectrum: A Quantum-Mechanical Approach

2018 ◽  
Vol 122 (2) ◽  
pp. 594-600 ◽  
Author(s):  
Simone Salustro ◽  
Anna Maria Ferrari ◽  
Francesco Silvio Gentile ◽  
Jacques Kontak Desmarais ◽  
Michel Rérat ◽  
...  
Keyword(s):  
Vibrational Spectrum ◽  
Quantum Mechanical ◽  
Mechanical Approach ◽  
Quantum Mechanical Approach

Hydroxyapatite as a key biomaterial: quantum-mechanical simulation of its surfaces in interaction with biomolecules

2010 ◽  
Vol 12 (24) ◽  
pp. 6309 ◽  
Author(s):  
Marta Corno ◽  
Albert Rimola ◽  
Vera Bolis ◽  
Piero Ugliengo
Keyword(s):  
Quantum Mechanical ◽  
Mechanical Simulation

The spectroscopic characterization of interstitial oxygen in bulk silicon: A quantum mechanical simulation

2020 ◽  
Vol 152 (5) ◽  
pp. 054502 ◽  
Author(s):  
Francesco Silvio Gentile ◽  
Alessandro Difalco ◽  
Fabien Pascale ◽  
Simone Salustro ◽  
William Mackrodt ◽  
...  
Keyword(s):  
Spectroscopic Characterization ◽  
Quantum Mechanical ◽  
Interstitial Oxygen ◽  
Bulk Silicon ◽  
Mechanical Simulation
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