메뉴 건너뛰기




Volumn 117, Issue 45, 2013, Pages 11430-11440

Modeling of energy transfer from vibrationally excited CO2 molecules: Cross sections and probabilities for kinetic modeling of atmospheres, flows, and plasmas

Author keywords

[No Author keywords available]

Indexed keywords

EQUILIBRIUM GEOMETRIES; HIGH-PERFORMANCE PLATFORMS; INTERMOLECULAR INTERACTIONS; NONEQUILIBRIUM CONDITIONS; PORTABLE IMPLEMENTATION; QUASICLASSICAL TRAJECTORIES; ROTATIONAL DISTRIBUTIONS; ROTATIONAL TEMPERATURE;

EID: 84887875447     PISSN: 10895639     EISSN: 15205215     Source Type: Journal    
DOI: 10.1021/jp408522m     Document Type: Article
Times cited : (44)

References (67)
  • 2
    • 0023823530 scopus 로고
    • Carbon Monoxide in the Earth's Atmosphere: Indications of a Global Increase
    • Khalil, M. A.; Rasmussen, R. A. Carbon Monoxide in the Earth's Atmosphere: Indications of a Global Increase Nature 1988, 332, 242
    • (1988) Nature , vol.332 , pp. 242
    • Khalil, M.A.1    Rasmussen, R.A.2
  • 4
    • 84887855170 scopus 로고    scopus 로고
    • http://www.astronomy.com/ /link.aspx?-id=9c5fef44-c7a0-4333-baeb-628add917d08.
  • 5
    • 84887925073 scopus 로고    scopus 로고
    • Project Phys4entry FP7242311.
    • Project Phys4entry FP7242311, http://users.ba.cnr.it/imip/cscpal38phys4entry/activities.html.
  • 12
    • 79955417712 scopus 로고    scopus 로고
    • 3D-analysis of Cluster Formation and Dynamics of the X-benzene (X = F, Cl, Br, I) Ionic Dimer Solvated by Ar Atoms
    • Albertí, M.; Huarte-Larrañaga, F.; Aguilar, A.; Lucas, J., M.; Pirani, F. A 3D-analysis of Cluster Formation and Dynamics of the X-benzene (X = F, Cl, Br, I) Ionic Dimer Solvated by Ar Atoms Phys. Chem. Chem. Phys. 2011, 13, 8251
    • (2011) Phys. Chem. Chem. Phys. , vol.13 , pp. 8251
    • Albertí, M.1    Huarte-Larrañaga, F.2    Aguilar, A.3    Lucas, J.M.4    Pirani, F.A.5
  • 13
    • 85007399821 scopus 로고    scopus 로고
    • A bond-bond portable approach to intermolecular interactions: Simulations for N-methylacetamide and carbon dioxide dimers
    • Lombardi, A.; Faginas-Lago, N.; Laganà, A.; Pirani, F.; Falcinelli, S. A bond-bond portable approach to intermolecular interactions: simulations for N-methylacetamide and carbon dioxide dimers Lecture Notes Comput. Sci., Part 1 2012, 7333, 387-400
    • (2012) Lecture Notes Comput. Sci., Part 1 , vol.7333 , pp. 387-400
    • Lombardi, A.1    Faginas-Lago, N.2    Laganà, A.3    Pirani, F.4    Falcinelli, S.5
  • 16
    • 85007352905 scopus 로고    scopus 로고
    • Carbon Oxides in Gas Flows and Earth and Planetary Atmospheres: State-to-State Simulations of Energy Transfer and Dissociation Reactions
    • Lombardi, A.; Laganà, A.; Pirani, F.; Palazzetti, F.; Faginas-Lago, N. Carbon Oxides in Gas Flows and Earth and Planetary Atmospheres: State-to-State Simulations of Energy Transfer and Dissociation Reactions Lecture Notes Comput. Sci., Part 2 2013, 7972, 17-31
    • (2013) Lecture Notes Comput. Sci., Part 2 , vol.7972 , pp. 17-31
    • Lombardi, A.1    Laganà, A.2    Pirani, F.3    Palazzetti, F.4    Faginas-Lago, N.5
  • 18
    • 77953157156 scopus 로고    scopus 로고
    • GriF: A Grid Framework for a Web Service Approach to Reactive Scattering
    • Manuali, C.; Rampino, S.; Laganà, A. GriF: A Grid Framework for a Web Service Approach to Reactive Scattering Comput. Phys. Commun. 2010, 181, 1179
    • (2010) Comput. Phys. Commun. , vol.181 , pp. 1179
    • Manuali, C.1    Rampino, S.2    Laganà, A.3
  • 19
    • 78649303567 scopus 로고    scopus 로고
    • GriF: A New Collaborative Framework for a Web Service Approach to Grid Empowered Calculations
    • Manuali, C.; Laganà, A. GriF: A New Collaborative Framework for a Web Service Approach to Grid Empowered Calculations Future Gen. Comp. Syst. 2011, 27, 315
    • (2011) Future Gen. Comp. Syst. , vol.27 , pp. 315
    • Manuali, C.1    Laganà, A.2
  • 20
    • 84884373007 scopus 로고    scopus 로고
    • Design and Implementation of a Grid Application for Direct Calculations of Reactive Rates
    • Faginas-Lago, N.; Lombardi, A.; Pacifici, L.; Costantini, A. Design and Implementation of a Grid Application for Direct Calculations of Reactive Rates Comp. Theor. Chem. 2013, 1022, 103-107
    • (2013) Comp. Theor. Chem. , vol.1022 , pp. 103-107
    • Faginas-Lago, N.1    Lombardi, A.2    Pacifici, L.3    Costantini, A.4
  • 27
    • 58149465755 scopus 로고    scopus 로고
    • The origin of Chiral Discrimination: Supersonic Molecular Beam Experiments and Molecular Dynamics Simulations of Collisional Mechanisms
    • Aquilanti, V.; Grossi, G.; Lombardi, A.; Maciel, G. S.; Palazzetti, F. The origin of Chiral Discrimination: Supersonic Molecular Beam Experiments and Molecular Dynamics Simulations of Collisional Mechanisms Phys. Scr. 2008, 78, 058119
    • (2008) Phys. Scr. , vol.78 , pp. 058119
    • Aquilanti, V.1    Grossi, G.2    Lombardi, A.3    MacIel, G.S.4    Palazzetti, F.5
  • 31
    • 80051703254 scopus 로고    scopus 로고
    • Hyperspherical Representation of Potential Energy Surfaces: Intermolecular Interactions in Tetra-atomic and Penta-atomic Systems
    • Barreto, P. R. P.; Albernaz, A.; F.; Palazzetti, F.; Lombardi, A.; Grossi, G.; Aquilanti, V. Hyperspherical Representation of Potential Energy Surfaces: Intermolecular Interactions in Tetra-atomic and Penta-atomic Systems Phys. Scr. 2011, 84, 028111
    • (2011) Phys. Scr. , vol.84 , pp. 028111
    • Barreto, P.R.P.1    Albernaz, A.F.2    Palazzetti, F.3    Lombardi, A.4    Grossi, G.5    Aquilanti, V.6
  • 32
    • 80051664208 scopus 로고    scopus 로고
    • Aligned Molecular Collisions and a Stereodynamical Mechanism for Selective Chirality
    • Aquilanti, V.; Grossi, G.; Lombardi, A.; Maciel, G. S.; Palazzetti, F. Aligned Molecular Collisions and a Stereodynamical Mechanism for Selective Chirality Rendiconti Lincei 2011, 22, 125
    • (2011) Rendiconti Lincei , vol.22 , pp. 125
    • Aquilanti, V.1    Grossi, G.2    Lombardi, A.3    MacIel, G.S.4    Palazzetti, F.5
  • 33
    • 78649709209 scopus 로고    scopus 로고
    • Spherical and Hyperspherical Representation of Potential Energy Surfaces for Intermolecular Interactions
    • Palazzetti, F.; Munusamy, E.; Lombardi, A.; Grossi, G.; Aquilanti, V. Spherical and Hyperspherical Representation of Potential Energy Surfaces for Intermolecular Interactions Int. J. Quantum Chem. 2011, 111, 318-332
    • (2011) Int. J. Quantum Chem. , vol.111 , pp. 318-332
    • Palazzetti, F.1    Munusamy, E.2    Lombardi, A.3    Grossi, G.4    Aquilanti, V.5
  • 35
    • 0036401415 scopus 로고    scopus 로고
    • Global View of Classical Clusters: The Hyperspherical Approach to Structure and Dynamics
    • Aquilanti, V.; Lombardi, A.; Yurtsever, E. Global View of Classical Clusters: the Hyperspherical Approach to Structure and Dynamics Phys. Chem. Chem. Phys. 2002, 4, 5040-51
    • (2002) Phys. Chem. Chem. Phys. , vol.4 , pp. 5040-5051
    • Aquilanti, V.1    Lombardi, A.2    Yurtsever, E.3
  • 37
    • 38049169460 scopus 로고    scopus 로고
    • The Hydrogen Peroxide-Rare Gas Systems: Quantum Chemical Calculations and Hyperspherical Harmonic Representation of the Potential Energy Surface for Atom-Floppy Molecule Interactions
    • Barreto, P. R. P.; Vilela, A. F. A.; Lombardi, A.; Maciel, G. S.; Palazzetti, F.; Aquilanti, V. The Hydrogen Peroxide-Rare Gas Systems: Quantum Chemical Calculations and Hyperspherical Harmonic Representation of the Potential Energy Surface for Atom-Floppy Molecule Interactions J. Phys. Chem. A 2007, 111, 12754
    • (2007) J. Phys. Chem. A , vol.111 , pp. 12754
    • Barreto, P.R.P.1    Vilela, A.F.A.2    Lombardi, A.3    MacIel, G.S.4    Palazzetti, F.5    Aquilanti, V.6
  • 38
    • 5544306267 scopus 로고    scopus 로고
    • Phase-space invariants for aggregates of particles: Hyperangular Momenta and Partitions of the Classical Kinetic Energy
    • Aquilanti, V.; Lombardi, A.; Sevryuk, M. B. Phase-space invariants for aggregates of particles: Hyperangular Momenta and Partitions of the Classical Kinetic Energy J. Chem. Phys. 2004, 121, 5579-5589
    • (2004) J. Chem. Phys. , vol.121 , pp. 5579-5589
    • Aquilanti, V.1    Lombardi, A.2    Sevryuk, M.B.3
  • 39
    • 33748988472 scopus 로고    scopus 로고
    • Isomerization Dynamics and Thermodynamics of Ionic Argon Clusters
    • Calvo, F.; Gadéa, X.; Lombardi, A.; Aquilanti, V. Isomerization Dynamics and Thermodynamics of Ionic Argon Clusters J. Chem. Phys. 2006, 125, 114307
    • (2006) J. Chem. Phys. , vol.125 , pp. 114307
    • Calvo, F.1    Gadéa, X.2    Lombardi, A.3    Aquilanti, V.4
  • 41
    • 0035931012 scopus 로고    scopus 로고
    • Range, Strength and Anisotropy of Intermolecular Forces in Atom-molecule Systems: An Atom-bond Pairwise Additivity Approach
    • Pirani, F.; Cappelletti, D.; Liuti, G. Range, Strength and Anisotropy of Intermolecular Forces in Atom-molecule Systems: an Atom-bond Pairwise Additivity Approach Chem. Phys. Lett. 2001, 350, 286
    • (2001) Chem. Phys. Lett. , vol.350 , pp. 286
    • Pirani, F.1    Cappelletti, D.2    Liuti, G.3
  • 42
  • 43
    • 0011006297 scopus 로고
    • Intermolecular Potentials from Crossed Beam Differential Elastic Scattering Measurements. III. He+He and Ne+Ne
    • Siska, P. E.; Parson, J. M.; Schafer, T. P.; Lee, Y. T. Intermolecular Potentials from Crossed Beam Differential Elastic Scattering Measurements. III. He+He and Ne+Ne J. Chem. Phys. 1971, 55, 5762
    • (1971) J. Chem. Phys. , vol.55 , pp. 5762
    • Siska, P.E.1    Parson, J.M.2    Schafer, T.P.3    Lee, Y.T.4
  • 44
    • 0041063165 scopus 로고
    • Neon Interatomic Potentials from Scattering Data and Crystalline Properties
    • Farrar, J. M.; Lee, Y. T.; Goldman, V. V.; Klein, M. L. Neon Interatomic Potentials from Scattering Data and Crystalline Properties Chem. Phys. Lett. 1973, 19, 359
    • (1973) Chem. Phys. Lett. , vol.19 , pp. 359
    • Farrar, J.M.1    Lee, Y.T.2    Goldman, V.V.3    Klein, M.L.4
  • 45
    • 0000820634 scopus 로고
    • New Alternative to the Dunham Potential for Diatomic Molecules
    • Simons, G.; Parr, R. G.; Finlan, J. M. New Alternative to the Dunham Potential for Diatomic Molecules J. Chem. Phys. 1973, 59, 3229
    • (1973) J. Chem. Phys. , vol.59 , pp. 3229
    • Simons, G.1    Parr, R.G.2    Finlan, J.M.3
  • 47
    • 36749110323 scopus 로고
    • The SPF Dunham Expansion for the Potential Well: A Regression Model for Systematic Analysis of Differential Elastic Beam Scattering Cross Sections
    • Bickes, R. W.; Bernstein, R. B. The SPF Dunham Expansion for the Potential Well: A Regression Model for Systematic Analysis of Differential Elastic Beam Scattering Cross Sections J. Chem. Phys. 1977, 66, 2408
    • (1977) J. Chem. Phys. , vol.66 , pp. 2408
    • Bickes, R.W.1    Bernstein, R.B.2
  • 48
    • 0000657451 scopus 로고
    • Simple but Reliable Method for the Prediction of Intermolecular Potentials
    • Hepburn, J.; Penco, R.; Scoles, G. A. Simple but Reliable Method for the Prediction of Intermolecular Potentials Chem. Phys. Lett. 1975, 36, 451
    • (1975) Chem. Phys. Lett. , vol.36 , pp. 451
    • Hepburn, J.1    Penco, R.2    Scoles, G.A.3
  • 49
    • 0001373611 scopus 로고
    • Intermolecular Forces in Simple Systems
    • Ahlrichs, R.; Penco, R.; Scoles, G. Intermolecular Forces in Simple Systems Chem. Phys. 1977, 19, 119
    • (1977) Chem. Phys. , vol.19 , pp. 119
    • Ahlrichs, R.1    Penco, R.2    Scoles, G.3
  • 50
    • 36549091857 scopus 로고
    • An Improved Simple Model for the van der Waals Potential Based on Universal Damping Functions for the Dispersion Coefficients
    • Tang, K. T.; Toennies, J. P. An Improved Simple Model for the van der Waals Potential Based on Universal Damping Functions for the Dispersion Coefficients J. Chem. Phys. 1984, 80, 3726
    • (1984) J. Chem. Phys. , vol.80 , pp. 3726
    • Tang, K.T.1    Toennies, J.P.2
  • 51
    • 52449096641 scopus 로고    scopus 로고
    • Beyond the Lennard-Jones Model: A Simple and Accurate Potential Function Probed by High Resolution Scattering Data Useful for Molecular Dynamics Simulations
    • Pirani, F.; Brizi, S.; Roncaratti, L.; Casavecchia, P.; Cappelletti, D.; Vecchiocattivi, F. Beyond the Lennard-Jones Model: a Simple and Accurate Potential Function Probed by High Resolution Scattering Data Useful for Molecular Dynamics Simulations Phys. Chem. Chem. Phys. 2008, 10, 5489
    • (2008) Phys. Chem. Chem. Phys. , vol.10 , pp. 5489
    • Pirani, F.1    Brizi, S.2    Roncaratti, L.3    Casavecchia, P.4    Cappelletti, D.5    Vecchiocattivi, F.6
  • 52
    • 0001748311 scopus 로고
    • A Simplified Representation of Intermolecular Potential Energy
    • Maitland, G. C.; Smith, E. B. A Simplified Representation of Intermolecular Potential Energy Chem. Phys. Lett. 1973, 22, 443
    • (1973) Chem. Phys. Lett. , vol.22 , pp. 443
    • Maitland, G.C.1    Smith, E.B.2
  • 53
    • 39749150328 scopus 로고    scopus 로고
    • A Comparison of Interatomic Potentials for Rare Gas Nanoaggregates
    • Lombardi, A.; Palazzetti, F. A Comparison of Interatomic Potentials for Rare Gas Nanoaggregates THEOCHEM 2008, 852, 22
    • (2008) THEOCHEM , vol.852 , pp. 22
    • Lombardi, A.1    Palazzetti, F.2
  • 54
    • 33745040278 scopus 로고    scopus 로고
    • Experimental Benchmarks and Phenomenology of Interatomic Forces: Open-shell and Electronic Anisotropy Effects
    • Pirani, F.; Maciel, G.; Cappelletti, D.; Aquilanti, V. Experimental Benchmarks and Phenomenology of Interatomic Forces: Open-shell and Electronic Anisotropy Effects Int. Rev. Phys. Chem. 2006, 25, 165-199
    • (2006) Int. Rev. Phys. Chem. , vol.25 , pp. 165-199
    • Pirani, F.1    MacIel, G.2    Cappelletti, D.3    Aquilanti, V.4
  • 55
    • 70349287544 scopus 로고    scopus 로고
    • On the Suitability of the ILJ Function to Match Different Formulations of the Electrostatic Potential for Water-water Interactions
    • Faginas-Lago, N.; Huarte-Larrañaga, F.; Albertí, M. On the Suitability of the ILJ Function to Match Different Formulations of the Electrostatic Potential for Water-water Interactions Eur. Phys. J. D 2009, 55, 75-85
    • (2009) Eur. Phys. J. D , vol.55 , pp. 75-85
    • Faginas-Lago, N.1    Huarte-Larrañaga, F.2    Albertí, M.3
  • 56
    • 84861341058 scopus 로고    scopus 로고
    • Benzene Water Interaction: From Gaseous Dimers to Solvated Aggregates
    • Albertí, M.; Faginas-Lago, N.; Pirani, F. Benzene Water Interaction: From Gaseous Dimers to Solvated Aggregates Chem. Phys. 2012, 399, 232
    • (2012) Chem. Phys. , vol.399 , pp. 232
    • Albertí, M.1    Faginas-Lago, N.2    Pirani, F.3
  • 58
    • 73949094863 scopus 로고    scopus 로고
    • AtomaîĹŠBond Pairwise Additive Representation for Halide Benzene Potential Energy Surfaces: An Ab Initio Validation Study
    • Albertí, M.; Aguilar, A.; Lucas, J. M.; Pirani, F.; Coletti, C.; Re, N. AtomaîĹŠBond Pairwise Additive Representation for Halide Benzene Potential Energy Surfaces: an Ab Initio Validation Study J. Phys. Chem. A 2009, 113, 14606
    • (2009) J. Phys. Chem. A , vol.113 , pp. 14606
    • Albertí, M.1    Aguilar, A.2    Lucas, J.M.3    Pirani, F.4    Coletti, C.5    Re, N.6
  • 62
    • 0012009897 scopus 로고
    • The symmetry of the 6.2 eV Two-photon Rydberg State in Hexatriene from the Polarization Properties of the Multiphoton Ionization Spectrum
    • Pack, R. T.; Berg, O. J.; El-Sayed, M. A. The symmetry of the 6.2 eV Two-photon Rydberg State in Hexatriene from the Polarization Properties of the Multiphoton Ionization Spectrum Chem. Phys. Lett. 1978, 55, 197
    • (1978) Chem. Phys. Lett. , vol.55 , pp. 197
    • Pack, R.T.1    Berg, O.J.2    El-Sayed, M.A.3


* 이 정보는 Elsevier사의 SCOPUS DB에서 KISTI가 분석하여 추출한 것입니다.