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1

Iron Chelation by the Powerful Antioxidant Flavonoid Quercetin

Leopoldini, Monica, Russo, Nino, Chiodo, Sandro, Toscano, Marirosa

Journal:

Journal of Agricultural and Food Chemistry

Année:

2006

Langue:

english

Fichier:

PDF, 549 KB

english, 2006

2

Reaction Mechanism of Molybdoenzyme Formate Dehydrogenase

Monica Leopoldini, Sandro G. Chiodo, Marirosa Toscano, Nino Russo

Journal:

Chemistry - A European Journal

Année:

2008

Langue:

english

Fichier:

PDF, 392 KB

english, 2008

3

Determination of spin-orbit coupling contributions in the framework of density functional theory

Sandro Chiodo, Nino Russo

Journal:

Journal of Computational Chemistry

Année:

2008

Langue:

english

Fichier:

PDF, 202 KB

english, 2008

4

Reaction of Bare VO+ and FeO+ with Ammonia: A Theoretical Point of View

Sandro Chiodo, Olga Kondakova, Maria del Carmen Michelini, Nino Russo, Emilia Sicilia

Journal:

Année:

2004

Fichier:

PDF, 58 KB

2004

5

Hydration of ionic species studied by the reference interaction site model with a repulsive bridge correction

Gennady N. Chuev, Maxim V. Fedorov, Sandro Chiodo, Nino Russo, Emilia Sicilia

Journal:

Journal of Computational Chemistry

Année:

2008

Langue:

english

Fichier:

PDF, 164 KB

english, 2008

6

One-electron spin-orbit contribution by effective nuclear charges

Sandro G. Chiodo, Nino Russo

Journal:

Journal of Computational Chemistry

Année:

2009

Langue:

english

Fichier:

PDF, 155 KB

english, 2009

7

Polarizabilities and first hyperpolarizabilities of stilbene analogues

Karl Jug, Sandro Chiodo, Florian Janetzko

Journal:

Chemical Physics

Année:

2003

Langue:

english

Fichier:

PDF, 319 KB

english, 2003

8

DFT spin–orbit coupling between singlet and triplet excited states: A case of psoralen compounds

Sandro G. Chiodo, Nino Russo

Journal:

Chemical Physics Letters

Année:

2010

Langue:

english

Fichier:

PDF, 409 KB

english, 2010

9

A TDDFT investigation of bay substituted perylenediimides: Absorption and intersystem crossing

Angelo Domenico Quartarolo, Sandro Giuseppe Chiodo, Nino Russo

Journal:

Journal of Computational Chemistry

Année:

2012

Langue:

english

Fichier:

PDF, 1011 KB

english, 2012

10

The inactivation of lipid peroxide radical by quercetin. A theoretical insight

Chiodo, Sandro G., Leopoldini, Monica, Russo, Nino, Toscano, Marirosa

Journal:

Physical Chemistry Chemical Physics

Année:

2010

Langue:

english

Fichier:

PDF, 1.31 MB

english, 2010

11

MolSOC: A spin–orbit coupling code

Chiodo, Sandro Giuseppe, Leopoldini, Monica

Journal:

Computer Physics Communications

Année:

2014

Langue:

english

Fichier:

PDF, 876 KB

english, 2014

12

Antioxidant Efficiency of Oxovitisin, a New Class of Red Wine Pyranoanthocyanins, Revealed through Quantum Mechanical Investigations

Alcaro, Stefano, Chiodo, Sandro Giuseppe, Leopoldini, Monica, Ortuso, Francesco

Journal:

Journal of Chemical Information and Modeling

Année:

2013

Langue:

english

Fichier:

PDF, 1.45 MB

english, 2013

13

Detailed Investigation of the OH Radical Quenching by Natural Antioxidant Caffeic Acid Studied by Quantum Mechanical Models

Leopoldini, Monica, Chiodo, Sandro G., Russo, Nino, Toscano, Marirosa

Journal:

Journal of Chemical Theory and Computation

Année:

2011

Langue:

english

Fichier:

PDF, 5.88 MB

english, 2011

14

Activation of Methane by the Iron Dimer Cation. A Theoretical Study

Chiodo, Sandro, Rivalta, Ivan, Michelini, Maria del Carmen, Russo, Nino, Sicilia, Emilia, Ugalde, Jesus M.

Journal:

Journal of Physical Chemistry A

Année:

2006

Langue:

english

Fichier:

PDF, 456 KB

english, 2006

15

A Theoretical Study of Brominated Porphycenes: Electronic Spectra and Intersystem Spin−Orbit Coupling

Quartarolo, Angelo Domenico, Chiodo, Sandro Giuseppe, Russo, Nino

Journal:

Journal of Chemical Theory and Computation

Année:

2010

Langue:

english

Fichier:

PDF, 2.53 MB

english, 2010

16

Electronic and Vibrational Polarizabilities and Hyperpolarizabilities of Azoles: A Comparative Study of the Structure−Polarization Relationship

Jug, Karl, Chiodo, Sandro, Calaminici, Patrizia, Avramopoulos, Aggelos, Papadopoulos, Manthos G.

Journal:

Journal of Physical Chemistry A

Année:

2003

Langue:

english

Fichier:

PDF, 151 KB

english, 2003

17

Theoretical Study of Two-State Reactivity of Transition Metal Cations: The “Difficult” Case of Iron Ion Interacting with Water, Ammonia, and Methane

Chiodo, Sandro, Kondakova, Olga, Michelini, Maria del Carmen, Russo, Nino, Sicilia, Emilia, Irigoras, Arantxa, Ugalde, Jesus M.

Journal:

Journal of Physical Chemistry A

Année:

2004

Langue:

english

Fichier:

PDF, 493 KB

english, 2004

18

Reaction of Bare VO + and FeO + with Ammonia: A Theoretical Point of View

Chiodo, Sandro, Kondakova, Olga, Michelini, Maria del Carmen, Russo, Nino, Sicilia, Emilia

Journal:

Inorganic Chemistry

Année:

2003

Langue:

english

Fichier:

PDF, 298 KB

english, 2003

19

Stability and Structures of Silver Sub-nm Clusters in EMT Zeolite with Maximum Aluminium Content

Chiodo, Sandro Giuseppe, Mineva, Tzonka

Journal:

The Journal of Physical Chemistry C

Année:

2016

Langue:

english

Fichier:

PDF, 2.14 MB

english, 2016

20

Sodalite cages of EMT zeolite confined neutral molecular-like silver clusters

Dong, Biao, Retoux, Richard, de Waele, Vincent, Chiodo, Sandro G., Mineva, Tzonka, Cardin, Julien, Mintova, Svetlana

Journal:

Microporous and Mesoporous Materials

Année:

2017

Langue:

english

Fichier:

PDF, 3.38 MB

english, 2017

21

Application of vibrational correlation formalism to internal conversion rate: Case study of Cu n (n = 3, 6, and 9) and H 2 /Cu 3

Chiodo, Sandro Giuseppe, Mineva, Tzonka

Journal:

The Journal of Chemical Physics

Année:

2015

Langue:

english

Fichier:

PDF, 4.54 MB

english, 2015

22

Computational Investigation on the Photophysical Properties of Halogenated Tetraphenyl BODIPY

Pomogaev, Vladimir, Chiodo, Sandro, Ruud, Kenneth, Kuznetsova, Rimma, Avramov, Pavel

Journal:

The Journal of Physical Chemistry C

Année:

2020

Fichier:

PDF, 746 KB

2020