Mariachiara Pastore (Antonio Monari)

ORCID

Publication Activity (10 Years)

Years Active: 2018-2023
Publications (10 Years): 21

Top Venues

Journal of chemical theory and computation

Molecules (Basel, Switzerland)

The journal of physical chemistry letters

The journal of physical chemistry. B

CNRS Délégation Centre-Est

This page only lists publications with an associated author ORCID identifier.

Affiliation History

CNRS Délégation Centre-Est Dec 1o 2015

France

Researcher :: Laboratoire de Phisique et Chimie Téoriques

Publications

Fiorella Lucarini, Jennifer Fize, Adina Morozan, Federico Droghetti, Euro Solari, Rosario Scopelliti, Marco Marazzi, Mirco Natali, Mariachiara Pastore, Vincent Artero, Albert Ruggi
Electro- and photochemical H 2 generation by Co(ii) polypyridyl-based catalysts bearing ortho -substituted pyridines. Sustainable energy & fuels 7 (14) (2023)
Javier Cerezo, Sheng Gao, Nicola Armaroli, Francesca Ingrosso, Giacomo Prampolini, Fabrizio Santoro, Barbara Ventura, Mariachiara Pastore
Non-Phenomenological Description of the Time-Resolved Emission in Solution with Quantum-Classical Vibronic Approaches-Application to Coumarin C153 in Methanol. Molecules (Basel, Switzerland) 28 (9) (2023)
Anil Reddy Marri, Edoardo Marchini, Valentin Diez Cabanes, Roberto Argazzi, Mariachiara Pastore, Stefano Caramori, Philippe C Gros
Panchromatic light harvesting and record power conversion efficiency for carboxylic/cyanoacrylic Fe(ii) NHC co-sensitized FeSSCs. Chemical science 14 (16) (2023)
Javier Cerezo, Sheng Gao, Nicola Armaroli, Francesca Ingrosso, Giacomo Prampolini, Fabrizio Santoro, Barbara Ventura, Mariachiara Pastore
Non-Phenomenological Description of the Time-Resolved Emission in Solution with Quantum-Classical Vibronic Approaches-Application to Coumarin C153 in Methanol. Molecules (Basel, Switzerland) 28 (9) (2023)
Anil Reddy Marri, Edoardo Marchini, Valentin Diez Cabanes, Roberto Argazzi, Mariachiara Pastore, Stefano Caramori, Philippe C Gros
Panchromatic light harvesting and record power conversion efficiency for carboxylic/cyanoacrylic Fe(ii) NHC co-sensitized FeSSCs. Chemical science 14 (16) (2023)
Cristina Cebrián, Mariachiara Pastore, Antonio Monari, Xavier Assfeld, Philippe C Gros, Stefan Haacke
Ultrafast Spectroscopy of Fe(II) Complexes Designed for Solar-Energy Conversion: Current Status and Open Questions. Chemphyschem : a European journal of chemical physics and physical chemistry 23 (7) (2022)
Alekos Segalina, Daniel Aranda Ruiz, James A Green, Vito Cristino, Stefano Caramori, Giacomo Prampolini, Mariachiara Pastore, Fabrizio Santoro
How the Interplay among Conformational Disorder, Solvation, Local, and Charge-Transfer Excitations Affects the Absorption Spectrum and Photoinduced Dynamics of Perylene Diimide Dimers: A Molecular Dynamics/Quantum Vibronic Approach. Journal of chemical theory and computation 18 (6) (2022)
Fiorella Lucarini, David Bongni, Philippe Schiel, Gabriele Bevini, Elisabetta Benazzi, Euro Solari, Farzaneh Fadaei Tirani, Rosario Scopelliti, Marco Marazzi, Mirco Natali, Mariachiara Pastore, Albert Ruggi
Rationalizing Photo-Triggered Hydrogen Evolution Using Polypyridine Cobalt Complexes: Substituent Effects on Hexadentate Chelating Ligands. ChemSusChem 14 (8) (2021)
Alekos Segalina, Sébastien Lebègue, Dario Rocca, Simone Piccinin, Mariachiara Pastore
Structure and Energetics of Dye-Sensitized NiO Interfaces in Water from Ab Initio MD and Large-Scale GW Calculations. Journal of chemical theory and computation 17 (8) (2021)
Anil Reddy Marri, Edoardo Marchini, Valentin Diez Cabanes, Roberto Argazzi, Mariachiara Pastore, Stefano Caramori, Carlo Alberto Bignozzi, Philippe C Gros
A Series of Iron(II)-NHC Sensitizers with Remarkable Power Conversion Efficiency in Photoelectrochemical Cells*. Chemistry (Weinheim an der Bergstrasse, Germany) 27 (65) (2021)
Valentin Diez-Cabanes, Ángel Morales-García, Francesc Illas, Mariachiara Pastore
Understanding the Structural and Electronic Properties of Photoactive Tungsten Oxide Nanoparticles from Density Functional Theory and GW Approaches. Journal of chemical theory and computation 17 (6) (2021)
Valentin Diez Cabanes, Antonio Monari, Mariachiara Pastore
Competition between the Photothermal Effect and Emission in Potential Phototherapy Agents. The journal of physical chemistry. B 125 (31) (2021)
Ahmed M El-Zohry, Valentin Diez-Cabanes, Mariachiara Pastore, Taha Ahmed, Burkhard Zietz
Highly Emissive Biological Bilirubin Molecules: Shedding New Light on the Phototherapy Scheme. The journal of physical chemistry. B 125 (32) (2021)
Valentin Diez Cabanes, Ángel Morales-García, Francesc Illas, Mariachiara Pastore
Tuning the Interfacial Energetics in WO3/WO3 and WO3/TiO2 Heterojunctions by Nanostructure Morphological Engineering. The journal of physical chemistry letters 12 (47) (2021)
Valentin Diez-Cabanes, Antonio Monari, Antonio Francés-Monerris, Mariachiara Pastore, Mariachiara Pastore
Iron's Wake: The Performance of Quantum Mechanical-Derived Versus General-Purpose Force Fields Tested on a Luminescent Iron Complex. Molecules (Basel, Switzerland) 25 (13) (2020)
Alekos Segalina, Javier Cerezo, Giacomo Prampolini, Fabrizio Santoro, Mariachiara Pastore
Accounting for Vibronic Features through a Mixed Quantum-Classical Scheme: Structure, Dynamics, and Absorption Spectra of a Perylene Diimide Dye in Solution. Journal of chemical theory and computation 16 (11) (2020)
Mohamed Darari, Edoardo Domenichini, Antonio Francés-Monerris, Cristina Cebrián, Kevin Magra, Marc Beley, Mariachiara Pastore, Antonio Monari, Xavier Assfeld, Stefan Haacke, Philippe C Gros
Iron(ii) complexes with diazinyl-NHC ligands: impact of π-deficiency of the azine core on photophysical properties. Dalton transactions (Cambridge, England : 2003) 48 (29) (2019)
Syrine Daoudi, Abderrahmane Semmeq, Michael Badawi, Xavier Assfeld, Youssef Arfaoui, Mariachiara Pastore
Electronic structure and optical properties of isolated and TiO2 -grafted free base porphyrins for water oxidation: A challenging test case for DFT and TD-DFT. Journal of computational chemistry 40 (29) (2019)
Kevin Magra, Edoardo Domenichini, Antonio Francés-Monerris, Cristina Cebrián, Marc Beley, Mohamed Darari, Mariachiara Pastore, Antonio Monari, Xavier Assfeld, Stefan Haacke, Philippe C Gros
Impact of the fac/ mer Isomerism on the Excited-State Dynamics of Pyridyl-carbene Fe(II) Complexes. Inorganic chemistry 58 (8) (2019)
Giacomo Prampolini, Francesca Ingrosso, Javier Cerezo, Alessandro Iagatti, Paolo Foggi, Mariachiara Pastore
Short- and Long-Range Solvation Effects on the Transient UV-Vis Absorption Spectra of a Ru(II)-Polypyridine Complex Disentangled by Nonequilibrium Molecular Dynamics. The journal of physical chemistry letters 10 (11) (2019)
Giacomo Prampolini, Francesca Ingrosso, Alekos Segalina, Stefano Caramori, Paolo Foggi, Mariachiara Pastore
Dynamical and Environmental Effects on the Optical Properties of an Heteroleptic Ru(II)-Polypyridine Complex: A Multilevel Approach Combining Accurate Ground and Excited State QM-Derived Force Fields, MD and TD-DFT. Journal of chemical theory and computation 15 (1) (2018)

Mariachiara Pastore.css-eqlu8i{font-size:small;padding-left:4px;} (Antonio Monari)

Publication Activity (10 Years)

Top Topics

Top Venues

Mariachiara Pastore (Antonio Monari)