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De Simone, Bruna Clara
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1

Sulphur- and Selenium-for-Oxygen Replacement as a Strategy ..:

Prejanò, Mario ; Alberto, Marta Erminia ; De Simone, Bruna Clara...
Molecules.  28 (2023)  7 - p. 3153 , 2023
Link: https://doi.org/10.3390/..
 
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2

Chalcogen Effects in the Photophysical Properties of Dimeth..:

Alberto, Marta Erminia ; De Simone, Bruna Clara ; Marino, Tiziana..
The Journal of Physical Chemistry A.  126 (2022)  31 - p. 5167-5172 , 2022
Link: https://doi.org/10.1021/..
 
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3

On the origin of photodynamic activity of hypericin and its..:

De Simone, Bruna Clara ; Mazzone, Gloria ; Toscano, Marirosa.
Journal of Computational Chemistry.  43 (2022)  30 - p. 2037-2042 , 2022
Link: https://doi.org/10.1002/..
 
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4

Theoretical investigation on bisarylselanylbenzo-2,1,3-sele..:

Mazzone, Gloria ; De Simone, Bruna Clara ; Marino, Tiziana.
The Journal of Chemical Physics.  154 (2021)  8 - p. , 2021
Link: https://doi.org/10.1063/..
 
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5

Quantum Mechanical Predictions of the Antioxidant Capabilit..:

Parise, Angela ; De Simone, Bruna Clara ; Marino, Tiziana..
Frontiers in Chemistry.  9 (2021)  - p. , 2021
Link: https://doi.org/10.3389/..
 
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6

Photophysical properties of heavy atom containing tetrasulf..:

De Simone, Bruna Clara ; Alberto, Marta Erminia ; Russo, Nino.
Journal of Computational Chemistry.  42 (2021)  25 - p. 1803-1808 , 2021
Link: https://doi.org/10.1002/..
 
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7

The Contribution of Density Functional Theory to the Atomis..:

De Simone, Bruna Clara ; Alberto, Marta Erminia ; Marino, Tiziana..
Molecules.  26 (2021)  19 - p. 5793 , 2021
Link: https://doi.org/10.3390/..
 
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8

Iodine substituted phosphorus corrole complexes as possible..:

Alberto, Marta Erminia ; De Simone, Bruna Clara ; Liuzzi, Simona...
Journal of Computational Chemistry.  41 (2020)  14 - p. 1395-1401 , 2020
Link: https://doi.org/10.1002/..
 
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9

Rational Design of Modified Oxobacteriochlorins as Potentia..:

Alberto, Marta Erminia ; De Simone, Bruna Clara ; Sicilia, Emilia..
International Journal of Molecular Sciences.  20 (2019)  8 - p. 2002 , 2019
Link: https://doi.org/10.3390/..
 
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10

Photophysical Properties of Nitrated and Halogenated Phosph..:

Alberto, Marta Erminia ; De Simone, Bruna Clara ; Mazzone, Gloria..
Molecules.  23 (2018)  11 - p. 2779 , 2018
Link: https://doi.org/10.3390/..
 
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11

Excitation energies, singlet–triplet energy gaps, spin–orbi..:

De Simone, Bruna Clara ; Mazzone, Gloria ; Russo, Nino..
Physical Chemistry Chemical Physics.  20 (2018)  4 - p. 2656-2661 , 2018
Link: https://doi.org/10.1039/..
 
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12

Can BODIPY Dimers Act as Photosensitizers in Photodynamic T..:

Alberto, Marta Erminia ; De Simone, Bruna Clara ; Russo, Nino..
Frontiers in Physics.  6 (2018)  - p. , 2018
Link: https://doi.org/10.3389/..
 
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13

Metal Atom Effect on the Photophysical Properties of Mg(II)..:

Simone, Bruna Clara De ; Mazzone, Gloria ; Russo, Nino..
Molecules.  22 (2017)  7 - p. 1093 , 2017
Link: https://doi.org/10.3390/..
 
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14

An Insightful Theoretical Interpretation of Paper pH Surfac..:

Beneduci, Amerigo ; Dalena, Francesco ; De Simone, Bruna Clara...
The Journal of Physical Chemistry C.  121 (2017)  45 - p. 25180-25186 , 2017
Link: https://doi.org/10.1021/..
 
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15

Can fused thiophene–pyrrole-containing rings act as possibl..:

De Simone, Bruna Clara ; Marino, Tiziana ; Prejanò, Mario.
Theoretical Chemistry Accounts.  135 (2016)  10 - p. , 2016
Link: https://doi.org/10.1007/..
 
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