Lorenzo Tinacci
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View article: The role of the pre-exponential factor on temperature programmed desorption spectra: A computational study of frozen species on interstellar icy grain mantles
The role of the pre-exponential factor on temperature programmed desorption spectra: A computational study of frozen species on interstellar icy grain mantles Open
Temperature programmed desorption (TPD) is a well-known technique to study gas-surface processes, and it is characterized by two main quantities: the adsorbate binding energy and the pre-exponential factor. While the former has been well a…
View article: Gaseous methanol in cold environments: is thermal desorption from low binding energy sites the explanation?
Gaseous methanol in cold environments: is thermal desorption from low binding energy sites the explanation? Open
Methanol (CH$_3$OH) is the simplest and most abundant interstellar complex organic molecule (iCOM) observed in warm and cold environments. It is thought to be formed on the surfaces of dust grains and released into the gas-phase by thermal…
View article: Theoretical Water Binding Energy Distribution and Snowline in Protoplanetary Disks
Theoretical Water Binding Energy Distribution and Snowline in Protoplanetary Disks Open
Water is one of the most important and abundant molecules in star-forming regions. In protoplanetary disks, where planets and comets form, H 2 O is in a gas or solid form, depending on the dust temperature, i.e., the distance from the cent…
View article: The GRETOBAPE Gas-phase Reaction Network: The Importance of Being Exothermic
The GRETOBAPE Gas-phase Reaction Network: The Importance of Being Exothermic Open
The gas-phase reaction networks are the backbone of astrochemical models. However, due to their complexity and nonlinear impact on the astrochemical modeling, they can be the first source of error in the simulations if incorrect reactions …
View article: The GRETOBAPE gas-phase reaction network: the importance of being exothermic
The GRETOBAPE gas-phase reaction network: the importance of being exothermic Open
Zip file containing all the network, codes and database used and/or obtained in our accepted article for publication in ApJS, 2023. The folder structure is illustrated in the ReadMe.txt file.
View article: The GRETOBAPE gas-phase reaction network: the importance of being exothermic
The GRETOBAPE gas-phase reaction network: the importance of being exothermic Open
Zip file containing all the network, codes and database used and/or obtained in our accepted article for publication in ApJS, 2023. The folder structure is illustrated in the ReadMe.txt file.
View article: Theoretical water binding energy distribution and snowline in protoplanetary disks
Theoretical water binding energy distribution and snowline in protoplanetary disks Open
Zip file containing all the structures and input obtained in our accepted article for publication in ApJ, 2023 To easily handle all these structures an online interactive page is created: https://tinaccil.github.io/Jmol_BE_H2O_visualizatio…
View article: Theoretical water binding energy distribution and snowline in protoplanetary disks
Theoretical water binding energy distribution and snowline in protoplanetary disks Open
Zip file containing all the structures and input obtained in our accepted article for publication in ApJ, 2023 To easily handle all these structures an online interactive page is created: https://tinaccil.github.io/Jmol_BE_H2O_visualizatio…
View article: The GRETOBAPE gas-phase reaction network: the importance of being exothermic
The GRETOBAPE gas-phase reaction network: the importance of being exothermic Open
Zip file containing all the network, codes and database used and/or obtained in our accepted article for publication in ApJS, 2023. The folder structure is illustrated in the ReadMe.txt file.
View article: Theoretical water binding energy distribution and snowline in protoplanetary disks
Theoretical water binding energy distribution and snowline in protoplanetary disks Open
Zip file containing all the structures and input obtained in our accepted article for publication in ApJ, 2023 To easily handle all these structures an online interactive page is created: https://tinaccil.github.io/Jmol_BE_H2O_visualizatio…
View article: The GRETOBAPE gas-phase reaction network: the importance of being exothermic
The GRETOBAPE gas-phase reaction network: the importance of being exothermic Open
The gas-phase reaction networks are the backbone of astrochemical models. However, due to their complexity and non-linear impact on the astrochemical modeling, they can be the first source of error in the simulations if incorrect reactions…
View article: Astrochemical reaction networks: bringing order to chaos
Astrochemical reaction networks: bringing order to chaos Open
Thesis manuscript on improving astrochemical reaction network by Lorenzo TINACCI, developed in UNIVERSITÉ GRENOBLE ALPES and UNIVERSITÀ DEGLI STUDI DI TORINO under the supervision of Cecilia CECCARELLI and Piero UGLIENGO under the EU-ITN A…
View article: Ammonia Binding Energy distribution at Interstellar Icy Grains
Ammonia Binding Energy distribution at Interstellar Icy Grains Open
Zip file containing all the structures and input obtained in our article ACS Earth Space Chem. 2022, 6, 6, 1514–1526, https://doi.org/10.1021/acsearthspacechem.2c00040 To easily handle all these structures an online interactive page is cre…
View article: Ammonia Binding Energy distribution at Interstellar Icy Grains
Ammonia Binding Energy distribution at Interstellar Icy Grains Open
Zip file containing all the structures and input obtained in our article ACS Earth Space Chem. 2022, 6, 6, 1514–1526, https://doi.org/10.1021/acsearthspacechem.2c00040 To easily handle all these structures an online interactive page is cre…
View article: Theoretical Distribution of the Ammonia Binding Energy at Interstellar Icy Grains: A New Computational Framework
Theoretical Distribution of the Ammonia Binding Energy at Interstellar Icy Grains: A New Computational Framework Open
The binding energies (BE) of molecules on the interstellar grains are crucial in the chemical evolution of the interstellar medium (ISM). Both temperature-programmed desorption (TPD) laboratory experiments and quantum chemistry computation…
View article: Theoretical distribution of the ammonia binding energy at interstellar icy grains: a new computational framework
Theoretical distribution of the ammonia binding energy at interstellar icy grains: a new computational framework Open
The binding energies (BE) of molecules on the interstellar grains are crucial in the chemical evolution of the interstellar medium (ISM). Both temperature programmed desorption (TPD) laboratory experiments and quantum chemistry computation…
View article: Computer Generated Realistic Interstellar Icy Grain Models: Physicochemical Properties and Interaction with NH<sub>3</sub>
Computer Generated Realistic Interstellar Icy Grain Models: Physicochemical Properties and Interaction with NH<sub>3</sub> Open
Interstellar grains are composed by a rocky core (usually amorphous silicates) covered by an icy mantle, the most abundant molecule being H2O followed by CO, CO2, NH3, and also radicals in minor quantities. In dense molecular clouds, gas-p…
View article: Structures and Properties of Known and Postulated Interstellar Cations
Structures and Properties of Known and Postulated Interstellar Cations Open
Positive ions play a fundamental role in interstellar chemistry, especially in cold environments where chemistry is believed to be mainly ion driven. We have carried out new accurate quantum chemical calculations to identify the structures…
View article: Structures and Properties of Known and Postulated Interstellar Cations
Structures and Properties of Known and Postulated Interstellar Cations Open
Positive ions play a fundamental role in interstellar chemistry, especially in cold environments where chemistry is believed to be mainly ion driven. However, in contrast with neutral species, most of the cations present in the astrochemic…
View article: Structures and Properties of Known and Postulated Interstellar Cations
Structures and Properties of Known and Postulated Interstellar Cations Open
Positive ions play a fundamental role in interstellar chemistry, especially in cold environments where chemistry is believed to be mainly ion driven. We have carried out new accurate quantum chemical calculations to identify the structures…