Planetary Entry Integrated Models

Publicaciones

Dissociation-Recombination Models in Hypersonic Boundary Layer O2/O Flows

Autores: I. Armenise; F. Esposito
Publicado en: North-Holland Pub. Co., Amsterdam , Paesi Bassi info:cnr-pdr/source/autori:I.Armenise, F.Esposito/titolo:Dissociation-Recombination Models in Hypersonic Boundary Layer O2/O Flows/doi:10.1016/j.chemphys.2011.06.028/rivista:Chemical physics (Print)/anno:2012/pagina_da:104/pagina_a:110/intervallo_pagine:104–110/volume:398 2012
Identificador permanente: Digital Object Identifier:10.1016/j.chemphys.2011.06.028

Radiative-Collisional Models in Non-Equilibrium Aerothermodynamics of Entry Probes

Autores: Sergey T. Surzhikov
Publicado en: ASME International 2012
Identificador permanente: Digital Object Identifier:10.1115/1.4005127

Electron-impact resonant vibration excitation cross sections and rate coefficients for carbon monoxide

Autores: C M Cassidy; Vincenzo Laporta; Jonathan Tennyson; R Celiberto
Publicado en: arXiv 2012
Identificador permanente: Digital Object Identifier:10.48550/arxiv.1206.2268; Digital Object Identifier:10.1088/0963-0252/21/4/045005; arXiv:1206.2268

Roads leading to roam. Role of triple fragmentation and of conical intersections in photochemical reactions: experiments and theory on methyl formate

Autores: Andrea Lombardi; Po-Yu Tsai; Po-Yu Tsai; Vincenzo Aquilanti; Vincenzo Aquilanti; Meng-Hsuan Chao; Federico Palazzetti; Federico Palazzetti; King-Chuen Lin; King-Chuen Lin; Toshio Kasai; Toshio Kasai
Publicado en: The Royal Society of Chemistry,, Cambridge , Regno Unito info:cnr-pdr/source/autori:Tsai P.-Y.; Chao M.-H.; Kasai T.; Lin K.-C.; Lombardi A.; Palazzetti F.; Aquilanti V./titolo:Roads leading to roam. Role of triple fragmentation and of conical intersections in photochemical reactions: Experiments and theory on methyl formate/doi:10.1039/c3cp53792g/rivista:PCCP. Physical chemistry chemical physics (Print)/anno:2014/pagina_da:2854/pagina_a:2865/intervallo_pagine:2854–2865/volume:16 2014
Identificador permanente: Digital Object Identifier:10.1039/c3cp53792g

Quasiclassical Trajectory Dynamics Study of Atomic Oxygen Collisions on an O-Preadsorbed Graphite (0001) Surface with a New Analytical Potential Energy Surface

Autores: Ludovic Martin-Gondre; Ludovic Martin-Gondre; Víctor Morón; Pablo Gamallo; Ramón Sayós
Publicado en: American Chemical Society instname:Universidad de Barcelona 2012
Identificador permanente: Digital Object Identifier:10.1021/jp300904p; Handle:10261/101771

Molecular dynamics simulations of molecular surface processes: a global theoretical approach.Application to Hydrogen and Oxygen on Silica Surface

Autores: M. Rutigliano

Multi-temperature model derived from state-to-state kinetics for hypersonic entry in Jupiter atmosphere

Autores: Gianpiero Colonna; G. D'Ammando; L. D. Pietanza; Domenic D'Ambrosio; M. Capitelli
Publicado en: American Institute of Physics,, New York , Stati Uniti d'America info:cnr-pdr/source/autori:Colonna, G.; D'Ambrosio, D.; D'Ammando, G.; Pietanza, L. D.; Capitelli, M./congresso_nome:AIP Conference Proceedings, AIP 29th RGD/congresso_luogo:Xi'an, China/congresso_data:13-18 July 2014/anno:2014/pagina_da:1162/pagina_a:1167/intervallo_pagine:1162–1167 2014
Identificador permanente: Digital Object Identifier:10.1063/1.4902724

Electron-vibration energy exchange models in nitrogen-containing plasma flows.

Autores: Vincenzo Laporta; Domenico Bruno
Publicado en: American Institute of Physics., [New York, etc.], Stati Uniti d'America info:cnr-pdr/source/autori:V.. Laporta, D. Bruno/titolo:Electron-vibration energy exchange models in nitrogen-containing plasma flows/doi:10.1063/1.4794690/rivista:The Journal of chemical physics/anno:2013/pagina_da:/pagina_a:/intervallo_pagine:/volume:138 2013
Identificador permanente: Digital Object Identifier:10.48550/arxiv.1304.4221; Digital Object Identifier:10.1063/1.4794690; arXiv:1304.4221

Molecular Physics of Elementary Processes Relevant to Hypersonics: Atom-Molecule, Molecule-Molecule and Atoms-Surface Processes

Autores: Fabrizio Esposito; Fernando Pirani; Mario Cacciatore; Pablo Gamallo; I. Armenise; M. Rutigliano; Antonio Laganà; Ramón Sayós; Andrea Lombardi
Publicado en: Bentham Open instname:Universidad de Barcelona 2014
Identificador permanente: Digital Object Identifier:10.2174/1876534301407010048

Electron collisions with excited molecules in low temperature plasmas

Autores: Roberto Celiberto; Vincenzo Laporta
Publicado en: EDP Sciences 2015
Identificador permanente: Digital Object Identifier:10.1051/epjconf/20158405004

Infrared emission spectroscopy of CO2 at high temperature. Part II: Experimental results and comparisons with spectroscopic databases

Autores: Anouar Soufiani; Anouar Soufiani; Philippe Rivière; Philippe Rivière; Marie-Yvonne Perrin; Marie-Yvonne Perrin; Sébastien Depraz; Sébastien Depraz
Publicado en: HAL CCSD 2011
Identificador permanente: Digital Object Identifier:10.1016/j.jqsrt.2011.09.013

Atom (ion) - diatom collision processes for fusion: calculation of ro-vibrationally detailed data

Autores: Esposito Fabrizio

Dynamics of the oxygen molecules scattered from the graphite (0001) surface and comparison with experimental data

Autores: Víctor Morón; Pablo Gamallo; Ramón Sayós; Ludovic Martin-Gondre; Ludovic Martin-Gondre
Publicado en: American Chemical Society instname:Universidad de Barcelona 2012
Identificador permanente: Digital Object Identifier:10.1021/jp3076996; Handle:10261/101757

Theoretical vibrational-excitation cross sections and rate coefficients for electron-impact resonant collisions involving rovibrationally excited N 2 and NO molecules

Autores: J. M. Wadehra; Vincenzo Laporta; Roberto Celiberto
Publicado en: IOP Publishing,, Bristol , Regno Unito Plasma sources science & technology (Print) 21 (2012): 055018. doi:10.1088/0963-0252/21/5/055018 2012
Identificador permanente: arXiv:1208.2582; Digital Object Identifier:10.1088/0963-0252/21/5/055018; Digital Object Identifier:10.48550/arxiv.1208.2582

Dust in Plasma II. Effects of Secondary Electrons: Ionization and Surface Emission

Autores: Taccogna, F.; Mizzi, G.
Publicado en: Wiley-VCH., Weinheim, Germania info:cnr-pdr/source/autori:Taccogna, F.; Mizzi, G./titolo:Dust in Plasma II. Effects of Secondary Electrons: Ionization and Surface Emission/doi:10.1002/ctpp.201400040/rivista:Contributions to plasma physics (1985)/anno:2014/pagina_da:877/pagina_a:888/intervallo_pagine:877–888/volume:54 2014

Dissociative electron attachment and electron-impact resonant dissociation of vibrationally excited O 2 molecules

Autores: Vincenzo Laporta; Roberto Celiberto; Jonathan Tennyson
Publicado en: Published by the American Physical Society through the American Institute of Physics,, New York, N.Y. , Stati Uniti d'America Physical review. A 91 (2015). doi:10.1103/PhysRevA.91.012701 2015
Identificador permanente: arXiv:1501.01771; Digital Object Identifier:10.1103/physreva.91.012701; Digital Object Identifier:10.48550/arxiv.1501.01771

An innovative computational comparison of exact and centrifugal sudden quantum properties of the N + N2 reaction.

Autores: Dimitris Skouteris; Ernesto Garcia; Antonio Laganà
Publicado en: Royal Society of Chemistry (RSC) 2012
Identificador permanente: Digital Object Identifier:10.1039/c2cp22922f; Handle:11384/14788

Plasma kinetics in molecular plasmas and modeling of reentry plasmas

Autores: Roberto Celiberto; Christopher Gorse; O. De Pascale; Francesco Taccogna; G. D'Ammando; Annarita Laricchiuta; Gianpiero Colonna; Lucia Daniela Pietanza; Fabrizio Esposito; Paola Diomede; Mario Capitelli; Savino Longo
Publicado en: Institute of Physics,, Bristol , Regno Unito Plasma physics and controlled fusion (Print) 53 (2011): 124007. doi:10.1088/0741-3335/53/12/124007 2011
Identificador permanente: Digital Object Identifier:10.1088/0741-3335/53/12/124007

Aligned molecules: chirality discrimination in photodissociation and in molecular dynamics

Autores: Federico Palazzetti; King-Chuen Lin; Andrea Lombardi; Masaaki Nakamura; Po-Yu Tsai; Dock-Chil Che; Vincenzo Aquilanti; Vincenzo Aquilanti; Toshio Kasai
Publicado en: Springer Science and Business Media LLC 2013
Identificador permanente: Digital Object Identifier:10.1007/s12210-013-0248-y

COUPLING OF RADIATION TRANSFER, LEVEL AND ELECTRON KINETICS UNDER HIGH-SPEED SHOCK WAVE CONDITIONS IN AN H2/HE MIXTURE

Autores: G. D'Ammando; L. D. Pietanza; G. Colonna; M. Capitelli

Advanced Models in Shock Waves

Autores: G. Colonna; G. D Ammando; A.S. Dikalyuk; M. Panesi; L.D. Pietanza; S. T. Surzhikov
Publicado en: Bentham Science Publishers, Hilversum , Paesi Bassi The Open plasma physics journal 7 (2014): 101–113. doi:10.2174/1876534301407010101 2014
Identificador permanente: Digital Object Identifier:10.2174/1876534301407010101

Dissociative recombination in reactive flows related to planetary atmospheric entries

Autores: Marie-Claude Druguet; Arnaud Bultel; Julien Annaloro
Publicado en: HAL CCSD https://hal.archives-ouvertes.fr/hal-01459293 2015
Identificador permanente: Digital Object Identifier:10.1051/epjconf/20158406005

Resonant vibrational-excitation cross sections and rate constants for low-energy electron scattering by molecular oxygen

Autores: R Celiberto; Jonathan Tennyson; Vincenzo Laporta
Publicado en: IOP Publishing,, Bristol , Regno Unito 2016
Identificador permanente: Digital Object Identifier:10.1088/0963-0252/22/2/025001; arXiv:1604.05871; Digital Object Identifier:10.48550/arxiv.1604.05871

A phenomenological approach for the transport properties of air plasmas

Autores: D'Angola; A.; Colonna; G.; Bonomo; A.; Bruno; D.; Laricchiuta; A.; Capitelli; M.
Publicado en: Springer-Verlag,, Berlin , Francia info:cnr-pdr/source/autori:D'Angola, A., Colonna, G., Bonomo, A., Bruno, D., Laricchiuta, A., Capitelli, M./titolo:A phenomenological approach for the transport properties of air plasmas/doi:10.1140/epjd/e2012-30147-8/rivista:The European physical journal. D, Atomic, molecular and optical physics (Print)/anno:2012/pagina_da:205/pagina_a:/intervallo_pagine:205/volume:66 2012
Identificador permanente: Digital Object Identifier:10.1140/epjd/e2012-30147-8

Molecular Physics and Plasmas in Hypersonics

Autores: M. Capitelli; A. Laricchiuta

The role of radiative reabsorption on the electron energy distribution functions in H2/He plasma expansion through a tapered nozzle

Autores: Fabrizio Esposito; Mario Capitelli; Annarita Laricchiuta; G. D'Ammando; Gianpiero Colonna; Lucia Daniela Pietanza
Publicado en: AIP Publishing Physics of plasmas 21 (2014). doi:10.1063/1.4895481 2014
Identificador permanente: Digital Object Identifier:10.1063/1.4895481

Electron-impact resonant vibrational excitation and dissociation processes involving vibrationally excited N 2 molecules

Autores: Vincenzo Laporta; D. A. Little; Jonathan Tennyson; Roberto Celiberto
Publicado en: arXiv Plasma sources science & technology (Print) 23 (2014): 065002. doi:10.1088/0963-0252/23/6/065002 2014
Identificador permanente: Digital Object Identifier:10.48550/arxiv.1402.3814; arXiv:1402.3814; Digital Object Identifier:10.1088/0963-0252/23/6/065002

Radiative Aerothermodynamics of Entering Space Vehicles: Toward the Use of State-to-State Approach

Autores: F. Taccogna; P. Reynier; S. Surzhikov; G. Seller
Publicado en: Bentham Science Publishers, Hilversum , Paesi Bassi info:cnr-pdr/source/autori:S. Surzhikov, P. Reynier, G. Seller, and F. Taccogna/titolo:Radiative aerothermodynamics of entering space vehicles: toward the use of state-to-state approach/doi:/rivista:The Open plasma physics journal/anno:2014/pagina_da:127/pagina_a:154/intervallo_pagine:127–154/volume:7 2014
Identificador permanente: Digital Object Identifier:10.2174/18765343014070101127; Digital Object Identifier:10.2174/1876534301407010127

Recombination and chemical energy accommodation coefficients from chemical dynamics simulations: O/O2 mixtures reacting over a β-cristobalite (001) surface.

Autores: Pablo Gamallo; Pablo Gamallo; Víctor Morón; Pascal Larrégaray; Ramón Sayós; Ludovic Martin-Gondre; Ludovic Martin-Gondre; C. Crespos
Publicado en: Royal Society of Chemistry instname:Universidad de Barcelona 2011
Identificador permanente: Handle:10261/50791; Digital Object Identifier:10.1039/c1cp20828d

Radiation transfer, Level and Free‐electron kinetics in Non‐equilibrium Atomic Hydrogen Plasma

Autores: Mario Capitelli; Lucia Daniela Pietanza; Gianpiero Colonna; G. D'Ammando
Publicado en: American Institute of Physics,, New York , Stati Uniti d'America AIP Conference Proceedings, AIP 27th RGD, pp. 1100–1105, Asilomar, California, 2011 2011
Identificador permanente: Digital Object Identifier:10.1063/1.3562791

Building up computational databases for chemical modelling

Autores: Fabrizio Esposito

Radiation Models and Radiation Transfer in Hypersonics

Autores: A. Soufani; G. D Ammando; Lucia Daniela Pietanza; G. Colonna; S. T. Surzhikov; Ph. Rivière; Marie-Yvonne Perrin
Publicado en: Bentham Science Publishers Ltd. info:cnr-pdr/source/autori:M.Y. Perrin, G. Colonna, G. D'Ammando, L.D. Pietanza, Ph. Riviere, A. Soufani and S. Surzhikov/titolo:Radiation Models and Radiation Transfer in Hypersonics/doi:10.2174/1876534301407010114/rivista:The Open plasma physics journal/anno:2014/pagina_da:114/pagina_a:126/intervallo_pagine:114–126/volume:7 2014
Identificador permanente: Digital Object Identifier:10.2174/18765343014070101114; Digital Object Identifier:10.2174/1876534301407010114

Consistent multi-internal-temperatures models for nonequilibrium nozzle flows

Autores: Anne Bourdon; Anne Bourdon; Aurélien Guy; Aurélien Guy; Marie-Yvonne Perrin; Marie-Yvonne Perrin
Publicado en: HAL CCSD Chemical Physics, Elsevier, 2013, 420 (11), pp.15-24. ⟨10.1016/j.chemphys.2013.04.018⟩ 2013
Identificador permanente: Digital Object Identifier:10.1016/j.chemphys.2013.04.018

Modeling of Energy Transfer From Vibrationally Excited CO2 Molecules: Cross Sections and Probabilities for Kinetic Modeling of Atmospheres, Flows and Plasmas

Autores: Leonardo Pacifici; Andrea Lombardi; Alessandro Costantini; Noelia Faginas-Lago
Publicado en: American Chemical Society (ACS) 2013
Identificador permanente: Digital Object Identifier:10.1021/jp408522m

Particle Methods for Nonequilibrium Hypersonic and Plasma Flows

Autores: P. De Palma; Paola Diomede; M. D. de Tullio; Savino Longo; F. Taccogna; P. Minelli; Domenico Bruno; A. S. Dikaljuk; Antonio Panarese; S. T. Surzhikov
Publicado en: Bentham Science Publishers Ltd. 2014
Identificador permanente: Digital Object Identifier:10.2174/1876534301407010088

Reactive and internal contributions to the thermal conductivity of local thermodynamic equilibrium nitrogen plasma: The effect of electronically excited states

Autores: Mario Capitelli; Gianpiero Colonna; Domenico Bruno; Annarita Laricchiuta
Publicado en: AIP Publishing Physics of plasmas 19 (2012). doi:10.1063/1.4771689 2012
Identificador permanente: Digital Object Identifier:10.1063/1.4771689

Atomic and molecular data for spacecraft re-entry plasmas

Autores: M. Rutigliano; Ratko K. Janev; Mario Cacciatore; Fabrizio Esposito; A. Laricchiuta; Roberto Celiberto; I. Armenise; Mario Capitelli; Ramón Sayós; Andrea Lombardi; Pablo Gamallo; Jonathan Tennyson; Antonio Laganà; J. M. Wadehra; Vincenzo Laporta
Publicado en: Institute of Physics (IOP) instname:Universidad de Barcelona 2016
Identificador permanente: Digital Object Identifier:10.1088/0963-0252/25/3/033004

Molecular physics of elementary processes relevant to hypersonics: Electron-molecule collisions

Autores: J. M. Wadehra; Vincenzo Laporta; Roberto Celiberto; Jonathan Tennyson; A. Laricchiuta
Publicado en: Bentham Science Publishers, Hilversum , Paesi Bassi The Open plasma physics journal 7 (2014): 33–47. doi:10.2174/1876534301407010033 2014
Identificador permanente: Digital Object Identifier:10.2174/1876534301407010033

Molecular dynamics-based unstructured grid generation method for aerodynamic applications

Autores: A. L. Zheleznyakova; Sergey T. Surzhikov
Publicado en: Elsevier BV 2013
Identificador permanente: Digital Object Identifier:10.1016/j.cpc.2013.07.013

Dust in Plasma I. Particle Size and Ion‐Neutral Collision Effects

Autores: Francesco Taccogna
Publicado en: Wiley-VCH-Verl.., Weinheim, Germania Contributions to plasma physics (Internet) 52 (2012): 744–755. doi:10.1002/ctpp.201100018 2012
Identificador permanente: Digital Object Identifier:10.1002/ctpp.201100018

Self-consistent collisional-radiative model for hydrogen atoms: Atom–atom interaction and radiation transport

Autores: Lucia Daniela Pietanza; G. D'Ammando; Gianpiero Colonna
Publicado en: Elsevier BV 2012
Identificador permanente: Digital Object Identifier:10.1016/j.chemphys.2011.06.019

The role of electron scattering with vibrationally excited nitrogen molecules on non-equilibrium plasma kinetics

Autores: Gianpiero Colonna; Mario Capitelli; G. D'Ammando; Vincenzo Laporta; Annarita Laricchiuta
Publicado en: AIP Publishing 2013
Identificador permanente: Digital Object Identifier:10.1063/1.4824003

Coupled radiative gasdynamic interaction and non-equilibrium dissociation for large-scale returned space vehicles

Autores: S. Surzhikov
Publicado en: Elsevier BV 2012
Identificador permanente: Digital Object Identifier:10.1016/j.chemphys.2011.10.024

Infrared emission spectroscopy of CO2 at high temperature. Part I: Experimental setup and source characterization

Autores: Anouar Soufiani; Anouar Soufiani; Marie-Yvonne Perrin; Marie-Yvonne Perrin; Sébastien Depraz; Sébastien Depraz
Publicado en: HAL CCSD Journal of Quantitative Spectroscopy and Radiative Transfer, Elsevier, 2011, 113, pp.1-13. ⟨10.1016/j.jqsrt.2011.09.002⟩ 2011
Identificador permanente: Digital Object Identifier:10.1016/j.jqsrt.2011.09.002

N2, O2, NO state-to-state vibrational kinetics in hypersonic boundary layers: The problem of rescaling rate coefficients to uniform vibrational ladders

Autores: I. Armenise; F. Esposito
Publicado en: Elsevier BV Chemical physics (Print) 446 (2015): 30–46. doi:10.1016/j.chemphys.2014.11.004 2015
Identificador permanente: Digital Object Identifier:10.1016/j.chemphys.2014.11.004

A molecular dynamics simulation of hydrogen atoms collisions on an H-preadsorbed silica surface

Autores: Pablo Gamallo; Mario Cacciatore; M. Rutigliano; Ramón Sayós; S. Orlandini
Publicado en: Institute of Physics (IOP) info:cnr-pdr/source/autori:Rutigliano M.; Gamallo P.; Sayos R.; Orlandini S.; Cacciatore M./titolo:A molecular dynamics simulation of hydrogen atoms collisions on an H-preadsorbed silica surface/doi:10.1088/0963-0252/23/4/045016/rivista:Plasma sources science & technology (Print)/anno:2014/pagina_da:/pagina_a:/intervallo_pagine:/volume:23 2014
Identificador permanente: Digital Object Identifier:10.1088/0963-0252/23/4/045016

Coupling of radiation, excited states and electron energy distribution function in non equilibrium hydrogen plasmas

Autores: Lucia Daniela Pietanza; Gianpiero Colonna; G. D'Ammando; Mario Capitelli
Publicado en: Elsevier BV 2013
Identificador permanente: Digital Object Identifier:10.1016/j.sab.2013.03.004

Mars sample return orbiter: Detailed vibrational-chemical kinetics and heat transfer

Autores: I. Armenise; Elena Kustova
Publicado en: American Institute of Physics, Melville [NY], USA info:cnr-pdr/source/autori:Armenise, I.; Kustova, E./congresso_nome:29th International Symposium on Rarefied Gas Dynamics (RGD)/congresso_luogo:Xian, China/congresso_data:13-18 July, 2014/anno:2014/pagina_da:1245/pagina_a:1252/intervallo_pagine:1245–1252 2014
Identificador permanente: Digital Object Identifier:10.1063/1.4902734

Survey of convective blockage for planetary entries

Autores: Philippe Reynier
Publicado en: Elsevier BV 2013
Identificador permanente: Digital Object Identifier:10.1016/j.actaastro.2012.06.016

Statistical thermodynamic description of H2 molecules in normal ortho/para mixture

Autores: Gianpiero Colonna; Mario Capitelli; Antonio D’Angola
Publicado en: Elsevier BV 2012
Identificador permanente: Digital Object Identifier:10.1016/j.ijhydene.2012.03.103

MCTDH calculations on the rigid OH radical moving along a (10,0) carbon nanotube

Autores: Antonio Laganà; Dimitrios Skouteris
Identificador permanente: Handle:11384/13530; Digital Object Identifier:10.1016/j.cplett.2013.04.075

Resonant charge-exchange involving excited helium atoms and reactive transport of local thermodynamic equilibrium helium plasma

Autores: Kosarim; A.V.; Smirnov; B.M.; Laricchiuta; A.; Capitelli; M.
Publicado en: American Institute of Physics,, Woodbury, NY , Stati Uniti d'America info:cnr-pdr/source/autori:Kosarim, A.V., Smirnov, B.M., Laricchiuta, A., Capitelli, M./titolo:Resonant charge-exchange involving excited helium atoms and reactive transport of local thermodynamic equilibrium helium plasma/doi:10.1063/1.4729727/rivista:Physics of plasmas/anno:2012/pagina_da:062309/pagina_a:/intervallo_pagine:062309/volume:19 2012
Identificador permanente: Digital Object Identifier:10.1063/1.4729727

Ion size influence on the Ar solvation shells of M(+)-C6F6 clusters (M = Na, K, Rb, Cs).

Autores: Margarita Albertí; N. Faginas Lago
Publicado en: American Chemical Society (ACS) 2012
Identificador permanente: Digital Object Identifier:10.1021/jp300156k

Electronic excitation and isentropic coefficients of high temperature planetary atmosphere plasmas

Autores: Mario Capitelli; Antonio D’Angola; Gianpiero Colonna
Publicado en: AIP Publishing 2012
Identificador permanente: Digital Object Identifier:10.1063/1.4737190

ReaxFF molecular dynamics simulations of CO collisions on an O-preadsorbed silica surface.

Autores: Pablo Gamallo; Ramón Sayós; Hèctor Prats
Publicado en: Springer Verlag instname:Universidad de Barcelona 2014
Identificador permanente: Digital Object Identifier:10.1007/s00894-014-2160-5

Non-equilibrium vibrational and electron energy distributions functions in atmospheric nitrogen ns pulsed discharges and μs post-discharges: the role of electron molecule vibrational excitation scaling-laws

Autores: Roberto Celiberto; Mario Capitelli; Vincenzo Laporta; Gianpiero Colonna; Jonathan Tennyson
Publicado en: IOP Publishing 2015
Identificador permanente: Digital Object Identifier:10.1088/0963-0252/24/3/035004; Digital Object Identifier:10.48550/arxiv.1503.03845; arXiv:1503.03845

Macroscopic kinetic model for air in nozzle flow

Autores: Lucia Daniela Pietanza; Gianpiero Colonna; Mario Capitelli
Publicado en: American Institute of Physics,, New York , Stati Uniti d'America 2012
Identificador permanente: Digital Object Identifier:10.1063/1.4769660

State-to-state vibrational kinetics of H$_2$ and H$_2^+$ in a post-shock cooling gas with primordial composition

Autores: Fabrizio Esposito; G. Mizzi; G. Mizzi; Carla Maria Coppola; Carla Maria Coppola; Carla Maria Coppola; Domenico Bruno; Franco Palla; Savino Longo; Savino Longo; Daniele Galli
Publicado en: Oxford University Press (OUP) 2016
Identificador permanente: Digital Object Identifier:10.1093/mnras/stw198; Digital Object Identifier:10.48550/arxiv.1602.03403; arXiv:1602.03403

Molecular physics and kinetics of high-temperature planetary atmospheres

Autores: Annarita Laricchiuta; G. D'Ammando; Domenico Bruno; Lucia Daniela Pietanza; Fabrizio Esposito; Mario Capitelli; Gianpiero Colonna
Publicado en: Springer Science and Business Media LLC info:cnr-pdr/source/autori:M.Capitelli; D.Bruno; G.Colonna; G.DAmmando; F. Esposito; A.Laricchiuta; L.D. Pietanza/titolo:Molecular physics and kinetics of high-temperature planetary atmospheres/doi:/rivista:Atti della Accademia Nazionale dei Lincei. Rendiconti Lincei. Scienze fisiche e naturali (Testo stamp.)/anno:2011/pagina_da:201/pagina_a:210/intervallo_pagine:201–210/volume:22 2011
Identificador permanente: Digital Object Identifier:10.1007/s12210-011-0132-6

State-to-state models for CO2 molecules: From the theory to an application to hypersonic boundary layers

Autores: I. Armenise; Elena Kustova
Publicado en: North-Holland Pub. Co., Amsterdam , Paesi Bassi info:cnr-pdr/source/autori:I.Armenise, E.V.Kustova/titolo:State-to-state models for CO2 molecules: From the theory to an application to hypersonic boundary layers/doi:10.1016/j.chemphys.2013.01.034/rivista:Chemical physics (Print)/anno:2013/pagina_da:269/pagina_a:281/intervallo_pagine:269–281/volume:415 2013
Identificador permanente: Digital Object Identifier:10.1016/j.chemphys.2013.01.034

Relaxation of rotational-vibrational energy and volume viscosity in H-H2 mixtures.

Autores: Fabrizio Esposito; Vincent Giovangigli; Domenico Bruno
Publicado en: AIP Publishing 2013
Identificador permanente: Digital Object Identifier:10.1063/1.4792148

Molecular alignment and chirality in gaseous streams and vortices

Autores: Federico Palazzetti; Andrea Lombardi; Tzu-Min Su; Vincenzo Aquilanti; Gaia Grossi
Publicado en: Springer Science and Business Media LLC 2013
Identificador permanente: Digital Object Identifier:10.1007/s12210-013-0249-x

Electronuclear multiconfiguration time-dependent hartree calculations on the confined H atom with mobile electron and nucleus

Autores: Dimitrios Skouteris; Antonio Laganà
Identificador permanente: Handle:11384/14101; Digital Object Identifier:10.1002/qua.24295

On different contributions to the heat flux and diffusion in non-equilibrium flows

Autores: Elena Kustova; I. Armenise
Publicado en: Elsevier BV Chemical physics (Print) 428 (2014): 90–104. doi:10.1016/j.chemphys.2013.11.003 2014
Identificador permanente: Digital Object Identifier:10.1016/j.chemphys.2013.11.003

Reduction of State-to-State to Macroscopic Models for Hypersonics

Autores: Lucia Daniela Pietanza; Thierry Magin; Alessandro Munafò; Mario Capitelli; Marie-Yvonne Perrin; Arnaud Bultel; G. Colonna; Julien Annaloro; Anne Bourdon; Aurélien Guy
Publicado en: HAL CCSD The Open plasma physics journal 7 (2014): 60–75. doi:10.2174/1876534301407010060 2014
Identificador permanente: Digital Object Identifier:10.2174/1876534301407010060

Classical dynamics study of atomic oxygen over graphite (0001) with new interpolated and analytical potential energy surfaces

Autores: Pablo Gamallo; Ramón Sayós; C. Crespos; Pascal Larrégaray; Ludovic Martin-Gondre; Ludovic Martin-Gondre; Víctor Morón
Publicado en: Elsevier instname:Universidad de Barcelona 2012
Identificador permanente: Handle:10261/101681; Digital Object Identifier:10.1016/j.comptc.2012.01.030

Non-Born–Oppenheimer MCTDH calculations on the confined H2+ molecular ion

Autores: Osvaldo Gervasi; Dimitris Skouteris; Antonio Laganà
Publicado en: Elsevier BV 2010
Identificador permanente: Digital Object Identifier:10.1016/j.cplett.2010.09.070

Non-thermal photons and H2 formation in the early Universe

Autores: Daniele Galli; Jens Chluba; Carla Maria Coppola; Carla Maria Coppola; Carla Maria Coppola; Franco Palla; Savino Longo; Savino Longo
Publicado en: Blackwell Scientific Publications, Oxford , Regno Unito 2013
Identificador permanente: Digital Object Identifier:10.1093/mnras/stt1007; arXiv:1306.1107; Digital Object Identifier:10.48550/arxiv.1306.1107

Quantum mechanical and quasiclassical Born–Oppenheimer dynamics of the reaction N2X1Σg++O3P→N(4S)+NOX2Π on the N2O a∼3A″ and b∼3A′ surfaces

Autores: Paolo Defazio; Ramón Sayós; Carlo Petrongolo; Sinan Akpinar; Fabrizio Esposito; I. Armenise; Pablo Gamallo
Publicado en: Elsevier BV 2012
Identificador permanente: Digital Object Identifier:10.1016/j.chemphys.2011.05.005

Design and implementation of a Grid application for direct calculations of reactive rates

Autores: N. Faginas Lago; Andrea Lombardi; Leonardo Pacifici; Alessandro Costantini
Publicado en: Elsevier BV Computational and Theoretical Chemistry 2013
Identificador permanente: Digital Object Identifier:10.1016/j.comptc.2013.08.014

Non-equilibrium H2 Formation in the Early Universe: Energy Exchanges, Rate Coefficients, and Spectral Distortions

Autores: R. D'Introno; Savino Longo; Carla Maria Coppola; Carla Maria Coppola; Daniele Galli; Jonathan Tennyson
Publicado en: arXiv The Astrophysical Journal Supplement Series 2012
Identificador permanente: Digital Object Identifier:10.48550/arxiv.1201.1720; Digital Object Identifier:10.1088/0067-0049/199/1/16; arXiv:1201.1720

The last mile of molecular reaction dynamics virtual experiments: the case of the OH(N = 1–10) + CO(j = 0–3) reaction

Autores: Ernesto Garcia; Piergiorgio Casavecchia; Nadia Balucani; Antonio Laganà; Alessandra Paladini
Publicado en: Royal Society of Chemistry., Cambridge, Regno Unito info:cnr-pdr/source/autori:Antonio Lagana,a Ernesto Garcia,b Alessandra Paladini,a Piergiorgio Casavecchia, a Nadia Balucani a/titolo:The last mile of molecular reaction dynamics virtual experiments: the case of the OH(N=1-10) CO(j=0-3) reaction/doi:10.1039/C2FD20046E/rivista:Faraday discussions (Online)/anno:2012/pagina_da:415/pagina_a:436/intervallo_pagine:415–436/volume:157 2012
Identificador permanente: Digital Object Identifier:10.1039/c2fd20046e

Enhanced Flexibility of the O2 + N2 Interaction and Its Effect on Collisional Vibrational Energy Exchange.

Autores: A. Kurnosov; Ernesto Garcia; Antonio Laganà; Massimiliano Bartolomei; Mario Cacciatore; Fernando Pirani
Publicado en: American Chemical Society instname: 2016
Identificador permanente: Digital Object Identifier:10.1021/acs.jpca.6b00962; Handle:10261/143189

The effect of the intermolecular potential formulation on the state-selected energy exchange rate coefficients in N2-N2 collisions.

Autores: Antonio Laganà; Mario Cacciatore; Ernesto Garcia; Massimiliano Bartolomei; Alexander Kurnosov; Fernando Pirani
Publicado en: John Wiley & Sons instname: 2014
Identificador permanente: Handle:10261/114165; Digital Object Identifier:10.1002/jcc.23545

Efficiency of Collisional O2 + N2 Vibrational Energy Exchange.

Autores: A. Kurnosov; Mario Cacciatore; Ernesto Garcia; Fernando Pirani; Massimiliano Bartolomei; Antonio Laganà
Publicado en: American Chemical Society (ACS) instname: 2015
Identificador permanente: Digital Object Identifier:10.1021/acs.jpcb.5b06423; Handle:10261/127458

A high-level ab initio study of the N2 + N2 reaction channel.

Autores: Alessandro Costantini; Marco Verdicchio; Andrea Lombardi; Noelia Faginas Lago; Leonardo Pacifici
Publicado en: WILEY-BLACKWELL https://hal.univ-lorraine.fr/hal-01278794 2013
Identificador permanente: Digital Object Identifier:10.1002/jcc.23415

A classical versus quantum mechanics study of the $$\hbox{OH}\,+\,\hbox{CO} \rightarrow\,\hbox{H}\,+\,\hbox{CO}_2$$ (J = 0) reaction

Autores: F. J. Aoiz; Antonio Laganà; Ernesto Garcia
Publicado en: Springer Science and Business Media LLC 2012
Identificador permanente: Digital Object Identifier:10.1007/s00214-012-1262-3

An approximate quantum mechanical study of the N + O → NO+ + e− associative ionisation

Autores: Dimitrios Skouteris; Antonio Laganà; Fernando Pirani
Identificador permanente: Digital Object Identifier:10.1016/j.cplett.2012.12.014

A Dynamics Investigation of the C + CH+ → C2+ + H Reaction on an ab Initio Bond-Order-Like Potential

Autores: Leonardo Pacifici; Mariachiara Pastore; Antonio Laganà; Sergio Rampino; Ernesto Garcia
Publicado en: HAL CCSD Journal of Physical Chemistry A, American Chemical Society, 2016, 120 (27), pp.5125-5135. ⟨10.1021/acs.jpca.6b00564⟩ 2016
Identificador permanente: Digital Object Identifier:10.1021/acs.jpca.6b00564; Handle:11384/69437

Quantum reactive scattering on innovative computing platforms

Autores: Leonardo Pacifici; Danilo Nalli; Antonio Laganà
Publicado en: Elsevier BV 2013
Identificador permanente: Digital Object Identifier:10.1016/j.cpc.2013.01.002

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