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Dynamics of the Cl+D₂ reaction: A comparison of crossed molecular beam experiments with quasi-classical trajectory calculations on a new ab initio potential energy surface

N. Balucani, L. Cartechini, P. Casavecchia, G. Volpi, F. Aoiz, L. Bañares, M. Menéndez, W. Bian, and H. Werner. Chem. Phys. Lett., 328 (4-6): 500–508 (2000)
DOI: 10.1016/S0009-2614(00)00947-7

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The Astrochemical Observatory: Experimental and Computational Focus on the Chiral Molecule Propylene Oxide as a Case Study.A. Lombardi, F. Palazzetti, V. Aquilanti, F. Pirani, and P. Casavecchia. ICCSA (5), volume 10408 of Lecture Notes in Computer Science, page 267-280. Springer, (2017)Theoretical Study of Reactions Relevant for Atmospheric Models of Titan: Interaction of Excited Nitrogen Atoms with Small Hydrocarbons.M. Rosi, S. Falcinelli, N. Balucani, P. Casavecchia, F. Leonori, and D. Skouteris. ICCSA (1), volume 7333 of Lecture Notes in Computer Science, page 331-344. Springer, (2012)The dynamics of the prototype abstraction reaction Cl(2P3/2,1/2) + H₂: A comparison of crossed molecular beam experiments with exact quantum scattering calculations on coupled ab initio potential energy surfacesN. Balucani, D. Skouteris, G. Capozza, E. Segoloni, P. Casavecchia, M. Alexander, G. Capecchi, and H. Werner. Phys. Chem. Chem. Phys., 6 (21): 5007–5017 (2004)A Theoretical Study of Formation Routes and Dimerization of Methanimine and Implications for the Aerosols Formation in the Upper Atmosphere of Titan.M. Rosi, S. Falcinelli, N. Balucani, P. Casavecchia, and D. Skouteris. ICCSA (1), volume 7971 of Lecture Notes in Computer Science, page 47-56. Springer, (2013)Dynamics of the Cl+D₂ reaction: A comparison of crossed molecular beam experiments with quasi-classical trajectory calculations on a new ab initio potential energy surfaceN. Balucani, L. Cartechini, P. Casavecchia, G. Volpi, F. Aoiz, L. Bañares, M. Menéndez, W. Bian, and H. Werner. Chem. Phys. Lett., 328 (4-6): 500–508 (2000)Experimental and theoretical differential cross sections for the reactions Cl+H₂/D₂D. Skouteris, H. Werner, F. Aoiz, L. Bañares, J. Castillo, M. Menéndez, N. Balucani, L. Cartechini, and P. Casavecchia. J. Chem. Phys., 114 (24): 10662–10672 (2001)Formation of Nitrogen-Bearing Organic Molecules in the Reaction NH + C2H5: A Theoretical Investigation and Main Implications for Prebiotic Chemistry in Space.M. Rosi, D. Skouteris, P. Casavecchia, S. Falcinelli, C. Ceccarelli, and N. Balucani. ICCSA (2), volume 10961 of Lecture Notes in Computer Science, page 773-782. Springer, (2018)A Computational Study of the Reaction N(2D) + C6H6 Leading to Pyridine and Phenylnitrene.N. Balucani, L. Pacifici, D. Skouteris, A. Caracciolo, P. Casavecchia, S. Falcinelli, and M. Rosi. ICCSA (3), volume 11621 of Lecture Notes in Computer Science, page 316-324. Springer, (2019)A Theoretical Investigation of the Reaction N(2D) + C6H6 and Implications for the Upper Atmosphere of Titan.N. Balucani, L. Pacifici, D. Skouteris, A. Caracciolo, P. Casavecchia, and M. Rosi. ICCSA (2), volume 10961 of Lecture Notes in Computer Science, page 763-772. Springer, (2018)An Extension of the Molecular Simulator GEMS to Calculate the Signal of Crossed Beam Experiments.A. Laganà, N. Balucani, S. Crocchianti, P. Casavecchia, E. Garcia, and A. Saracibar. ICCSA (3), volume 6784 of Lecture Notes in Computer Science, page 453-465. Springer, (2011)

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