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

Raman spectrum of NaAlSi2O6jadeite. A quantum mechanical simulation

2014 ◽  
Vol 45 (8) ◽  
pp. 703-709 ◽  
Author(s):  
Mauro Prencipe ◽  
Lorenzo Maschio ◽  
Bernard Kirtman ◽  
Simone Salustro ◽  
Alessandro Erba ◽  
...  
Keyword(s):  
Raman Spectrum ◽  
Quantum Mechanical ◽  
Mechanical Simulation

Raman Spectrum of Pyrope Garnet. A Quantum Mechanical Simulation of Frequencies, Intensities, and Isotope Shifts

2013 ◽  
Vol 117 (45) ◽  
pp. 11464-11471 ◽  
Author(s):  
Lorenzo Maschio ◽  
Bernard Kirtman ◽  
Simone Salustro ◽  
Claudio M. Zicovich-Wilson ◽  
Roberto Orlando ◽  
...  
Keyword(s):  
Raman Spectrum ◽  
Quantum Mechanical ◽  
Isotope Shifts ◽  
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

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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