E-LIB Suche - Ergebnisse für: Salustro, Simone

1

Thermal characterization and cost analysis of cement-based ..:

Salustro, Simone ; Lavagna, Luca ; Fernicola, Vito...
Journal of Energy Storage. 93 (2024) - p. 112308 , 2024

2

The spectroscopic characterization of interstitial oxygen i..:

Gentile, Francesco Silvio ; Difalco, Alessandro ; Pascale, Fabien...
The Journal of Chemical Physics. 152 (2020) 5 - p. , 2020

Link: https://doi.org/10.1063/..

3

The CRYSTAL code, 1976–2020 and beyond, a long story:

Dovesi, Roberto ; Pascale, Fabien ; Civalleri, Bartolomeo...
The Journal of Chemical Physics. 152 (2020) 20 - p. , 2020

Link: https://doi.org/10.1063/..

4

Substitutional boron and nitrogen pairs in diamond. A quant..:

Salustro, Simone ; Colasuonno, Fabio ; Ferrari, Anna Maria...
Carbon. 146 (2019) - p. 709-716 , 2019

Link: https://doi.org/10.1016/..

5

On the Models for the Investigation of Charged Defects in S..:

Dovesi, Roberto ; Gentile, Francesco Silvio ; Ferrari, Anna Maria...
The Journal of Physical Chemistry A. 123 (2019) 22 - p. 4806-4815 , 2019

Link: https://doi.org/10.1021/..

6

The Infrared spectrum of very large (periodic) systems: glo..:

Pascale, Fabien ; Salustro, Simone ; Ferrari, Anna Maria...
Theoretical Chemistry Accounts. 137 (2018) 12 - p. , 2018

Link: https://doi.org/10.1007/..

7

Characterization of the B-Center Defect in Diamond through ..:

Salustro, Simone ; Ferrari, Anna Maria ; Gentile, Francesco Silvio...
The Journal of Physical Chemistry A. 122 (2018) 2 - p. 594-600 , 2018

Link: https://doi.org/10.1021/..

8

The characterization of the VN Hdefects in diamond through ..:

Salustro, Simone ; Gentile, Francesco Silvio ; Erba, Alessandro...
Carbon. 132 (2018) - p. 210-219 , 2018

Link: https://doi.org/10.1016/..

9

Looking for $$sp^2$$sp2 carbon atoms in diamond: a quantum ..:

Sansone, Giuseppe ; Salustro, Simone ; Noël, Yves...
Theoretical Chemistry Accounts. 137 (2018) 2 - p. , 2018

Link: https://doi.org/10.1007/..

10

Substitutional nitrogen in diamond: A quantum mechanical in..:

Ferrari, Anna Maria ; Salustro, Simone ; Gentile, Francesco Silvio..
Carbon. 134 (2018) - p. 354-365 , 2018

Link: https://doi.org/10.1016/..

11

Hydrogen, boron and nitrogen atoms in diamond: a quantum me..:

Gentile, Francesco Silvio ; Salustro, Simone ; Di Palma, Giulio...
Theoretical Chemistry Accounts. 137 (2018) 11 - p. , 2018

Link: https://doi.org/10.1007/..

12

Low energy excitations in NiO based on a direct Δ-SCF appro..:

Mackrodt, William C ; Salustro, Simone ; Civalleri, Bartolomeo.
Journal of Physics: Condensed Matter. 30 (2018) 49 - p. 495901 , 2018

Link: https://doi.org/10.1088/..

13

Interstitial nitrogen atoms in diamond. A quantum mechanica..:

Salustro, Simone ; Pascale, Fabien ; Mackrodt, William C....
Physical Chemistry Chemical Physics. 20 (2018) 24 - p. 16615-16624 , 2018

Link: https://doi.org/10.1039/..

14

Quantum‐mechanical condensed matter simulations with CRYSTA:

Dovesi, Roberto ; Erba, Alessandro ; Orlando, Roberto...
WIREs Computational Molecular Science. 8 (2018) 4 - p. , 2018

Link: https://doi.org/10.1002/..

15

Vibrational spectroscopy of hydrogens in diamond: a quantum..:

Gentile, Francesco Silvio ; Salustro, Simone ; Desmarais, Jacques Kontak...
Physical Chemistry Chemical Physics. 20 (2018) 17 - p. 11930-11940 , 2018

Link: https://doi.org/10.1039/..