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1 . Academic Journal
Hydrogen-related defects in diamond: A comparison between observed and calculated FTIR spectra
저자
by
Day, Maxwell C.
;
Jollands, Michael C.
;
Novella, Davide
;
Nestola, Fabrizio
;
Dovesi, Roberto
, et al.
소스
In
Diamond & Related Materials
March 2024 143
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7 . Academic Journal
On the role of the exact Hartree–Fock exchange in determining the Jahn–Teller energy splitting and electronic band gap in the KBF3 (B=Sc, Ti, Fe, Co, Cr and Cu) perovskites. A quantum mechanical investigation
저자
by
Pascale, Fabien
;
Pastore, Mariachiara
;
Doll, Klaus
;
Dovesi, Roberto
.
소스
In
Chemical Physics Letters
February 2024 836
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6 . Academic Journal
The energies and charge and spin distributions in the low-lying levels of singlet and triplet N
2
V defects in diamond from direct variational calculations of the excited states.
저자
by
Mackrodt, William C.
;
Platonenko, Alexander
;
Pascale, Fabien
;
Dovesi, Roberto
.
소스
Journal of Chemical Physics
. 1/21/2024, Vol. 160 Issue 3, p1-9. 9p.
Full Text (AIP)
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6 . Academic Journal
Characterization of the negatively charged NV defect through the spin density distribution and the hyperfine coupling constants
저자
by
Ferrari, Anna M.
;
El-Kelany, Khaled E.
;
Gentile, Francesco S.
;
D'Amore, Maddalena
;
Romeo, Eleonora
, et al.
소스
In
Journal of Physics and Chemistry of Solids
March 2022 162
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7 . Academic Journal
The effect of charge and spin state on the Infrared spectra and hyperfine coupling constants of point defects in Silicon
저자
by
Platonenko, Alexander
;
Pascale, Fabien
;
El-Kelany, Khaled E.
;
Gentile, Francesco Silvio
;
Dovesi, Roberto
.
소스
In
Physica B: Physics of Condensed Matter
1 February 2022 626
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7 . Academic Journal
The NV0 defects in diamond: A quantum mechanical characterization through its vibrational and Electron Paramagnetic Resonance spectroscopies
저자
by
Ferrari, Anna Maria
;
D'Amore, Maddalena
;
El-Kelany, Khaled E.
;
Gentile, Francesco Silvio
;
Dovesi, Roberto
.
소스
In
Journal of Physics and Chemistry of Solids
January 2022 160
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7 . Academic Journal
A promising carbon-based nanosheet as a suitable Na-anode material
저자
by
da Silva Lopes Fabris, Guilherme
;
dos Reis Albuquerque, Anderson
;
Dovesi, Roberto
;
Ricardo Sambrano, Julio
.
소스
In
Materials Science & Engineering B
June 2021 268
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6 . Academic Journal
The VN3 defect in diamond: A quantum mechanical simulation of the vibrational spectra and EPR properties
저자
by
Gentile, Francesco Silvio
;
Colasuonno, Fabio
;
Pascale, Fabien
;
El-Kelany, Khaled E.
;
Causà, Mauro
, et al.
소스
In
Carbon
December 2020 170:600-605
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7 . Academic Journal
The VN2 negatively charged defect in diamond. A quantum mechanical investigation of the EPR response
저자
by
Di Palma, Giulio
;
Kirtman, Bernard
;
Gentile, Francesco Silvio
;
Platonenko, Alexander
;
Ferrari, Anna Maria
, et al.
소스
In
Carbon
15 April 2020 159:443-450
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7 . Academic Journal
Nitrogen interstitial defects in silicon. A quantum mechanical investigation of the structural, electronic and vibrational properties
저자
by
Platonenko, Alexander
;
Gentile, Francesco Silvio
;
Maul, Jefferson
;
Pascale, Fabien
;
Kotomin, Eugene A.
, et al.
소스
In
Materials Today Communications
December 2019 21
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