Quantum-mechanical simulation of the IR reflectance spectrum of Mn3Al2Si3O12 spessartine

2015 ◽  
Author(s):  
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R. Demichelis ◽  
F. Pascale ◽  
A. Meyer ◽  
L. Maschio ◽  
...  
Keyword(s):  
Reflectance Spectrum ◽  
Quantum Mechanical ◽  
Mechanical Simulation ◽  
Ir Reflectance

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

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

Quantum mechanical simulation studies of molecular vibrations and dynamics of oxo-anions in water

2008 ◽  
Vol 346 (1-3) ◽  
pp. 182-185 ◽  
Author(s):  
Andreas B. Pribil ◽  
Thomas S. Hofer ◽  
Viwat Vchirawongkwin ◽  
Bernhard R. Randolf ◽  
Bernd M. Rode
Keyword(s):  
Quantum Mechanical ◽  
Simulation Studies ◽  
Molecular Vibrations ◽  
Mechanical Simulation ◽  
Oxo Anions

scholarly journals The Raman spectrum of grossular garnet: a quantum mechanical simulation of wavenumbers and intensities

2014 ◽  
Vol 45 (8) ◽  
pp. 710-715 ◽  
Author(s):  
Lorenzo Maschio ◽  
Raffaella Demichelis ◽  
Roberto Orlando ◽  
Marco De La Pierre ◽  
Agnes Mahmoud ◽  
...  
Keyword(s):  
Raman Spectrum ◽  
Quantum Mechanical ◽  
Mechanical Simulation ◽  
Grossular Garnet
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