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Causà, Mauro
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1

Soot inception: A DFT study of σ and π dimerization of reso..:

Gentile, Francesco Silvio ; Picca, Francesca ; De Falco, Gianluigi...
Fuel.  279 (2020)  - p. 118491 , 2020
Link: https://doi.org/10.1016/..
 
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2

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/..
 
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3

On how mild oxidation affects the structure of carbons: Com..:

Levi, Gianluca ; Causà, Mauro ; Cortese, Luciano..
Applications in Energy and Combustion Science.  1-4 (2020)  - p. 100006 , 2020
Link: https://doi.org/10.1016/..
 
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4

N2 positively charged defects in diamond. A quantum mechani..:

Di Palma, Giulio ; Gentile, Francesco Silvio ; Lacivita, Valentina...
Journal of Materials Chemistry C.  8 (2020)  15 - p. 5239-5247 , 2020
Link: https://doi.org/10.1039/..
 
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5

Metal defects in HKUST-1 MOF revealed by vibrational spectr..:

Gentile, Francesco Silvio ; Pannico, Marianna ; Causà, Mauro...
Journal of Materials Chemistry A.  8 (2020)  21 - p. 10796-10812 , 2020
Link: https://doi.org/10.1039/..
 
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6

The VN defect in diamond: A quantum mechanical simulation o..:

Gentile, Francesco Silvio ; Colasuonno, Fabio ; Pascale, Fabien...
Carbon.  170 (2020)  - p. 600-605 , 2020
Link: https://doi.org/10.1016/..
 
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7

Hierarchy of Intermolecular Interactions and Selective Topo..:

Centore, Roberto ; Borbone, Fabio ; Carella, Antonio...
Crystal Growth & Design.  20 (2019)  2 - p. 1229-1236 , 2019
Link: https://doi.org/10.1021/..
 
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8

Translating Microscopic Molecular Motion into Macroscopic B..:

Centore, Roberto ; Causà, Mauro
Crystal Growth & Design.  18 (2018)  6 - p. 3535-3543 , 2018
Link: https://doi.org/10.1021/..
 
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9

Strong Metal–Support Interactions of TiN– and TiO2–Nickel N..:

Gage, Samuel H. ; Ngo, Chilan ; Molinari, Valerio...
The Journal of Physical Chemistry C.  122 (2018)  1 - p. 339-348 , 2018
Link: https://doi.org/10.1021/..
 
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10

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/..
 
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11

The VN3H defect in diamond: a quantum-mechanical characteri..:

Gentile, Francesco Silvio ; Salustro, Simone ; Causà, Mauro...
Physical Chemistry Chemical Physics.  19 (2017)  33 - p. 22221-22229 , 2017
Link: https://doi.org/10.1039/..
 
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12

Actual and virtual structures in molecular crystals:

Causà, Mauro ; Centore, Roberto
CrystEngComm.  19 (2017)  9 - p. 1320-1327 , 2017
Link: https://doi.org/10.1039/..
 
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13

Mechanism and Thermochemistry of Coal Char Oxidation and De..:

Levi, Gianluca ; Causà, Mauro ; Lacovig, Paolo..
Energy & Fuels.  31 (2017)  3 - p. 2308-2316 , 2017
Link: https://doi.org/10.1021/..
 
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14

Competition between Polar and Centrosymmetric Packings in M..:

Centore, Roberto ; Fusco, Sandra ; Capone, Fabio.
Crystal Growth & Design.  16 (2016)  4 - p. 2260-2265 , 2016
Link: https://doi.org/10.1021/..
 
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15

Surface Investigation and Morphological Analysis of Structu..:

D'Amore, Maddalena ; Thushara, K. S. ; Piovano, Alessandro...
ACS Catalysis.  6 (2016)  9 - p. 5786-5796 , 2016
Link: https://doi.org/10.1021/..
 
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