Search Results - "GIANTURCO, F. A"

On the Formation of Interstellar CH– Anions: Exploring Mechanism and Rates for CH2 Reacting with H by Yurtsever, E, Satta, M, Wester, R, Gianturco, F. A

“…We present accurate ab initio calculations on the structural properties of a gas-phase reaction of possible interest for Saturn’s outer atmosphere chemistry,…”
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Modeling Ionic Reactions at Interstellar Temperatures: The Case of NH2 – + H2 ⇔ NH3 + H by Gianturco, F. A, Yurtsever, E, Satta, M, Wester, R

“…Structural features and enthalpy details are presented for the title reactions, both for the exothermic (forward) path to NH3 formation and for the endothermic…”
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HeH+ Collisions with H2: Rotationally Inelastic Cross Sections and Rate Coefficients from Quantum Dynamics at Interstellar Temperatures by Giri, K, González-Sánchez, L, Biswas, Rupayan, Yurtsever, E, Gianturco, F. A, Sathyamurthy, N, Lourderaj, U, Wester, R

“…We report for the first time an accurate ab initio potential energy surface for the HeH+–H2 system in four dimensions (4D) treating both diatomic species as…”
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Computed Rotational Collision Rate Coefficients for Recently Detected Anionic Cyanopolyynes by González-Sánchez, L., Veselinova, A., Martín Santa Daría, A., Yurtsever, E., Biswas, R., Giri, K., Sathyamurthy, N., Lourderaj, U., Wester, R., Gianturco, F. A.

“…Abstract We report new results from quantum calculations of energy-transfer processes taking place in interstellar environments and involving two newly…”
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Dynamics of HeHHe+ Rotational State Changes Induced by Collision with He: A Possible New Path in Early Universe Chemistry by González-Sánchez, L, Yurtsever, E, Wester, R, Gianturco, F. A

“…Ab initio calculations are employed to generate the rigid rotor (RR) potential energy surface (PES) describing the interaction of the linear molecular cation…”
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CARBON-RICH MOLECULAR CHAINS IN PROTOPLANETARY AND PLANETARY ATMOSPHERES: QUANTUM MECHANISMS AND ELECTRON ATTACHMENT RATES FOR ANION FORMATION by Carelli, F, Satta, M, Grassi, T, Gianturco, F A

“…The elementary mechanisms through which molecular polyynes could form stable negative ions after interacting with free electrons in planetary atmospheres…”
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CH+ Destruction by Reaction with H: Computing Quantum Rates To Model Different Molecular Regions in the Interstellar Medium by Bovino, S, Grassi, T, Gianturco, F. A

“…A detailed analysis of an ionic reaction that plays a crucial role in the carbon chemistry of the interstellar medium (ISM) is carried out by computing ab…”
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Forming NCO– in Dense Molecular Clouds: Possible Gas-Phase Chemical Paths From Quantum Calculations by Yurtsever, E, Gianturco, F. A, Wester, R

“…The existence of NCO– anions in the interstellar medium (ISM) has been suggested and searched for over the years but without any formal definitive sighting of…”
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EXPLORING A CHEMICAL ROUTE FOR THE FORMATION OF STABLE ANIONS OF POLYYNES [CnH− (n = 2, 4)] IN MOLECULAR CLOUDS by Gianturco, F. A., Satta, M., Mendolicchio, M., Palazzetti, F., Piserchia, A., Barone, V., Wester, R.

“…ABSTRACT Using quantum chemical methods, we investigate the possible outcomes of reactions with acetylene and diacetylene molecules. We find both reactions to…”
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Computing rotational energy transfers of OD−/OH− in collisions with Rb: isotopic effects and inelastic rates at cold ion-trap conditions by González-Sánchez, L, Gianturco, F A, Carelli, F, Wester, R

“…We report close-coupling (CC) quantum dynamics calculations for collisional excitation/de-excitation of the lowest four rotational levels of OD− and of OH−…”
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Chemical complexity in astrophysical simulations: optimization and reduction techniques by Grassi, T., Bovino, S., Schleicher, D., Gianturco, F. A.

“…Chemistry plays a key role in the evolution of the interstellar medium, so it is highly important to follow its evolution in numerical simulations. However, it…”
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Complexity reduction of astrochemical networks by Grassi, T., Bovino, S., Gianturco, F. A., Baiocchi, P., Merlin, E.

“…Abstract We present a new computational scheme aimed at reducing the complexity of the chemical networks in astrophysical models, one which is shown to…”
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Dipole-driven dynamics for near-threshold electron/positron interactions with pyrimidinic DNA bases: a path to compound formations by Carelli, F., Franz, J., Gianturco, F. A.

“…Calculations are reported for electron and positron scattering from isolated cytosine and thymine, where the two pyrimidinic single-ring DNA bases, in the…”
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Rotational 'cooling' and 'heating' of OH+(3Σ−) by collisions with He: quantum dynamics revealing propensity rules under ion trap conditions by González-Sánchez, L., Wester, R., Gianturco, F.A.

“…Multichannel scattering calculations are presented for the low-energy collisions of the OH + cation and He atoms, using an ab initio evaluation of the…”
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Cold Chemistry with Ionic Partners: Quantum Features of HeH+(1Σ) with H(1S) at Ultralow Energies by Bovino, S, Tacconi, M, Gianturco, F. A

“…Quantum reactive calculations are presented for an ion-atom reaction involving the HeH+cation and its destruction via a barrierless interaction with H atoms…”
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ON THE RELATIVE TRANSPARENCY OF GAS-PHASE CORONENE MOLECULES TO LOW-ENERGY ELECTRONS: EFFECTS ON THE INTERSTELLAR MEDIUM by CARELLI, F, GIANTURCO, F. A

“…Free, gas-phase polycyclic aromatic hydrocarbons (PAHs) are understood to play an important role in the interstellar medium (ISM), as they are thought to…”
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Electron scattering cross sections from HCN over a broad energy range (0.1-10,000 eV): Influence of the permanent dipole moment on the scattering process by Sanz, A G, Fuss, M C, Blanco, F, Sebastianelli, F, Gianturco, F A, García, G

“…We report theoretical integral and differential cross sections for electron scattering from hydrogen cyanide derived from two ab initio scattering potential…”
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The Ionic Pathways of Lithium Chemistry in the Early Universe: Quantum Calculations for LiH+ Reacting with H by Bovino, S, Stoecklin, T, Gianturco, F. A

“…To better understand the overall role of lithium chemistry in the early universe, reactive quantum calculations involving LiH+ have been carried out and rate…”
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Dynamics of formation of anthracene anions in molecular clouds and protoplanetary atmospheres by Garcia-Sanz, A, Carelli, F, Sebastianelli, F, Gianturco, F A, Garcia, G

“…Quantum mechanical scattering calculations are carried out for gas-phase molecules of anthracene, an aromatic system with three condensed aromatic carbon…”
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Energy transfer in O collisions with He isotopes and Helium escape from Mars by Bovino, S., Zhang, P., Gianturco, F. A., Dalgarno, A., Kharchenko, V.

“…Accurate data on energy‐transfer collisions between hot oxygen atoms and the atmospheric helium gas on Mars, are reported. Anisotropic cross sections for…”
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