Hundred Most Significant Publications of Antonio ... - ACS Publications

Special Issue Preface pubs.acs.org/JPCA

Hundred Most Significant Publications of Antonio Laganà

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SEMICLASSICAL DYNAMICS METHODS

1. Resonant Charge Transfer in the Presence of Inelastic Processes: Oscillations in the Total Cross Sections, V. Aquilanti, A. Laganà, Z. Phys. Chem. (Neue Folge) 96, 229−238 (1975). 2. On the Evaluation of the Classical Phase for Reactive Molecular Collisions in Semiclassical theory, J. N. L. Connor, A. Laganà, Mol. Phys. 44, 403−410 (1981). 3. Semiclassical and Quasiclassical Calculation of Reaction Probabilities for the Collinear X + F2 → XF + F (X = Mu,H,D,T), J. N. L. Connor, J. C. Edge, A. Laganà, Mol. Phys. 46, 1231−1250 (1982). 4. Hyperspherical Adiabatic Description of Interference Effects and Resonances in Collinear Chemical Reactions, V. Aquilanti, S. Cavalli, A. Laganà, Chem. Phys. Lett. 93 (2), 179−183 (1982). 5. Hyperspherical Diabatic and Adiabatic Representations Chemical Reactions, V. Aquilanti, G. Grossi, A. Laganà Chem. Phys. Lett. 93 (2), 174−178 (1982). 6. A Semiclassical Approach to the Dynamics of Chemical Reactions within the Hyperspherical formalism V. Aquilanti, S. Cavalli, G. Grossi, A. Laganà J. Mol. Struct. 93, 319−323 (1983). 7. The Uniform Asymptotic Swallowtail Approximation: Application to the Collinear H + F2(v) Chemical Reaction, J. N. L. Connor, P. R. Curtis, C. J. Edge, A. Laganà, J. Chem. Phys. 80, 1362−1363 (1984). 8. Initial Value Semiclassical Approaches to Reactive Transition Probabilities, N. Faginas Lago, A. Laganà, Lect. Notes Comput. Sci. 2658, 357−365 (2003). 9. Quantum versus Semiclassical Initial Value Representation Probabilities for Non Reactive Systems, N. Faginas Lago, A. Laganà, A. Riganelli, Int. J. Quantum Chem. 96, 547−553 (2004). 10. Thermal Rate Coefficients for the N + N2 Reaction: Quasiclassical, Semiclassical and Quantum Calculations, N. Faginas Lago, A. Laganà, E. Garcia, X. Gimenez, Lect. Notes Comput. Sci., 3482, 1083−1092 (2005). 11. A Semiclassical Initial Value Representation Approach to N + N2 Rate Coefficients, N. Faginas Lago, A. Laganà, Lecture Series in Computer and Computational Science 7A, 297−300 (2006). 12. On the Semiclassical Initial Value Calculation of Thermal Rate Coefficients for the N + N2 Reaction, A. Laganà, N. Faginas Lago, R. Gargano, P. R. P. Barreto, J. Chem. Phys. 125, 114311−114317 (2006). 13. Full Dimensional Quantum versus Semiclassical Reactivity for the Bent Transition State Reaction N + N2, N. Faginas Lago, F. Huarte Larranaga, A. Laganà, Chem. Phys. Lett. 464, 249−255 (2008). 14. The Effect of the Intermolecular Potential Formulation on the State-Selected Energy Exchange Rate Coefficients in N2−N2 Collisions, A. Kurnosov, M. Cacciatore, A. Laganà, F. Pirani, M. Bartolomei, E. Garcia, J. Comput. Chem., 35 (9), 722−736 (2014). © 2016 Antonio Laganà

ELECTRONIC STRUCTURE CALCULATIONS AND THE ASSEMBLAGE OF POTENTIAL ENERGY SURFACES

15. Exact One Electron Eigenenergies for a Class of Atomic Model Potentials, V. Aquilanti, A. Laganà, Chem. Phys. Lett. 45, 346−350 (1977). 16. An Optimized LEPS Potential for the H + Cl2 Reaction, J. N. L. Connor, A. Laganà, J. C. Whitehead, W. Jakubetz, J. Manz, J. Chem. Soc. Faraday Trans. I 67, 123−124 (1979). 17. On the Computation of Eigenenergies for Potentials with a Coulombic Tail, V. Aquilanti, A. Laganà, Comp. Phys. Commun. 17, 113−116 (1979). 18. Potential Surface Graphical Study for Chemical Reactions, A. Laganà, Comput. Chem. 4, 137−143 (1980). 19. A Quasiclassical Trajectory Test for a Potential Energy Surface of the Li + HF Reaction, J. M. Alvarino, P. Casavecchia, O. Gervasi, A. Laganà, J. Chem. Phys. 77, 6341−6342 (1982). 20. A Quasiclassical Trajectory Test for a Potential Energy Surface of the Li + HF Reaction V. Aquilanti, G. Grossi, A. Laganà, J. Chem. Phys. 76, 1587−1588 (1982). 21. Diatomic Potential Functions for Triatomic Scattering, E. Garcia, A. Laganà, Mol. Phys. 56 (3), 621−627 (1985). 22. A New Bond-Order Functional Form for Triatomic Molecules: A Fit of the BeFH Potential Energy, E. Garcia, A. Laganà, Mol. Phys. 56 (3), 629−639 (1985). 23. Potential Energy Surface for Collinear Mg + FH → MgF + H Reaction, M. Paniagua, J. M. Garcia de la Vega, J. M. Alvarino, A. Laganà, J. Mol. Struct. 120, 475−478 (1985). 24. Two Configuration MC Potential Energy Surface for the Reaction of Mg with HF, M. Paniagua, J. M. Garcia De La Vega, J. R. Alvarez Collado, J. C. Sanz, J. M. Alvarino, A. Laganà, Chem. Phys. 101, 55−65 (1986). 25. RHF Potential Energy Surface for the Collinear Reaction of Na with HF, M. Paniagua, J. M. Garcia De La Vega, J. R. Alvarez Collado, J. C. Sanz, J. M. Alvarino, A. Laganà, J. Mol. Struct. 142, 525−528 (1986). 26. Two Configuration Potential Energy Surfaces for the Collinear Ca + HF → CaF + H Reaction, M. Paniagua, J. C. Sanz, J. M. Alvarino, A. Laganà, Chem. Phys. Lett. 126, 330−334 (1986). 27. A Vectorizable Potential Energy Functional for Reactive Scattering, A. Laganà, E. Garcia, L. Ciccarelli, Theor. Chim. Acta 72, 253−264 (1987). 28. A Potential Energy Surface for the Li + HCl Reaction, P. Palmieri, E. Garcia, A. Laganà, J. Chem. Phys. 88, 181− 190 (1988). 29. A Bond Order LiFH Potential Energy Surface for 3D Quantum-Mechanical Calculations, A. Laganà, O. Gervasi, E. Garcia, Chem. Phys. Lett. 143, 174−180 (1988). Special Issue: Piergiorgio Casavecchia and Antonio Lagana Festschrift Published: July 14, 2016 4599

DOI: 10.1021/acs.jpca.6b04682 J. Phys. Chem. A 2016, 120, 4599−4602

Special Issue Preface

The Journal of Physical Chemistry A

45. Stereodynamics from the Stereodirected Representation of the Exact Quantum S Matrix: The Li+ HF →LiF+H reaction, J. M. Alvariño, V. Aquilanti, S. Cavalli, S. Crocchianti, A. Laganà, T. Martinez, J. Phys. Chem. A 102 (47), 9638−9644 (1998). 46. Wave Packet Calculation of Cross Sections, Product State Distributions, and Branching Ratios for the O(1D)+HCl Reaction, V. Piermarini, G. Balint-Kurti, S. K. Gray, G. F. Gogtas, M. L. Hernandez, A. Laganà, J. Phys. Chem. A 105 (24), 5743−5750 (2001). 47. Wave Packet Calculations for the D+Cl2 Reaction, D. Skouteris, A. Laganà, G. Capecchi, H. J. Werner, Int. J. Quantum Chem. 96 (6), 562−567 (2004). 48. A Classical versus Quantum Mechanics Study of the OH + CO → CO2 + H Reaction, E. Garcia, F. J. Aoiz, A. Laganà, Theor. Chem. Acc., 131 (8), 1−11 (2012). 49. Quantum Mechanical Study of the N + O → NO+ + e− Associative Ionization, D. Skouteris, A. Laganà, F. Pirani, Chem. Phys. Lett. 557 43−48 (2013). 50. MCTDH Calculations on the Rigid OH Radical Moving Along a (10,0) Carbon Nanotube, D. Skouteris, A. Laganà, Chem. Phys. Lett. 575, 18−22 (2013). 51. A Grid Empowered Virtual versus Real Experiment for the Barrierless Li + FH → LiF + H Reaction, A. Laganà, S. Rampino, Lect. Notes Comput. Sci. 8579, 571−584 (2014).

30. On the All Channel Representation of the Potential Energy Surface for Reactive Collisions, V. Aquilanti, A. Laganà, R. D. Levine, Chem. Phys. Lett. 158, 87−94 (1989). 31. An Accurate Evaluation of the Stationary Points of the LiHF Potential Energy Surface, P. Palmieri, A. Laganà, J. Chem. Phys. 91(11), 7303−7305 (1989). 32. A Rotating Bond Order Formulation of the Atom Diatom Potential Energy Surface, A. Laganà, J. Chem. Phys. 95 (3), 2216−2217 (1991) 43. 33. The Largest Angle Generalization of the Rotating Bond Order Potential: Three Different Atom Reactions, A. Laganà, G. Ochoa de Aspuru, E. Garcia, J. Chem. Phys. 108 (10), 3886−3896 (1998).

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QUANTUM REACTIVE DYNAMICS

34. Uni- and Bimodal Product Energy Distributions for the Reactions H + Cl2(v = 1) and D + Cl2(v = 1), J. N. L. Connor, A. Laganà, J. C. Whitehead, W. Jakubetz, J. Manz, Chem. Phys. Lett. 62, 479−482 (1979). 35. Comparison of Quasi-Classical, Transition State Theory and Quantum Calculations of Rate Constants and Activation Energies for the Collinear Reaction X+ F2 → XF + F (X = Muonium, Hydrogen, Deuterium, Tritium), J. N. L. Connor, W. Jakubetz, A. Laganà, J. Phys. Chem. 83 (1), 73−78 (1979). 36. Decoupling Approximations in the Quantum Mechanical Treatment of P-State Atom Collisions, V. Aquilanti, P. Casavecchia, G. Grossi, A. Laganà, J. Chem. Phys. 73 (3), 1173−1180 (1980). 37. On Differences between Quasi-Classical and QuantumMechanical Vibrational Product Distributions in the Collinear H + Cl2(v = 2) and D + Cl2(v = 2) Reactions, J. N. L. Connor, W. Jakubetz, A. Laganà, J. C. Whitehead, Il Nuovo Cimento B 63, 116−124 (1981). 38. Hyperspherical Adiabatic Description of Interference Effects and Resonances in Collinear Chemical Reactions, V. Aquilanti, S. Cavalli, A. Laganà, Chem. Phys. Lett. 93, 179−183 (1982). 39. Exact Quantum Results for Reactive Scattering Using Hyperspherical (APH) Coordinates, G. A. Parker, R. T. Pack, A. Laganà, B. J. Archer, J. D. Kress, Z. Bacic, In “Supercomputer Algorithms for Reactivity, Dynamics and Kinetics of Small Molecules”, A. Laganà, Ed. (Kluwer, Dordrecht, 1989), pp 105−129. 40. A Comparison of Time-Dependent and Time-Independent Quantum Reactive Scattering − Li+ HF →LiF+H Model Calculations, G. G. Balint-Kurti, F. Gögtas, S. P. Mort, A. R. Offer, A. Laganà, O. Gervasi, J. Chem. Phys. 99 (12), 9567−9584 (1993). 41. Accurate 3D Quantum Reactive Probabilities of Li+FH, G. A. Parker, R. T. Pack, A. Laganà, Chem. Phys. Lett. 202 (1), 75−81 (1993) 45. 42. A Detailed Three-Dimensional Quantum Study of the Li+FH Reaction, G. A. Parker, A. Laganà, S. Crocchianti, R. T. Pack, J. Chem. Phys. 102 (3), 1238−1250 (1995). 43. Parallelization Strategies for a Reduced Dimensionality Calculation of Quantum Reactive Scattering Cross Sections on a Hypercube Machine, R. Baraglia, D. Laforenza, A. Laganà, Lect. Notes Comput. Sci., 919, 554−561 (1995). 44. An Ab Initio Study of the O(1D)+HCl Reaction, M. L. Hernandez, C. Redondo, A. Laganà, G. Ochoa de Aspuru, M. Rosi, A. Sgamellotti, J. Chem. Phys. 105, 2710 (1996).

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EXTENDED CLASSICAL DYNAMICS CALCULATIONS FOR ELEMENTARY AND COMPLEX PROCESSES

52. Quasiclassical Dynamics of Light Heavy−Heavy Atom Reactions: The Reaction X + F2 → XF + F (X = Mu,H,D,T), J. N. L. Connor, A. Laganà, Mol. Phys. 38, 657−667 (1979). 53. Quasiclassical Dynamics of Light + Heavy−Heavy and Heavy + Heavy-Light Atom Reactions: The Reaction X + F2 → XF + F (X = Mu,H), J. N. L. Connor, A. Laganà, A. F. Turfa, J. C. Whitehead, J. Chem. Phys. 75, 3301−3309 (1981). 54. The Reaction X + Cl2 → XCl + Cl (X = Mu,H,D). II Comparison of Experimental Data with Theoretical Results Derived from a New Potential Energy Surface, J. N. L. Connor, W. Jakubetz, A. Laganà, J. Manz, J. C. Whitehead, Chem. Phys. 65, 29−48 (1982). 55. Anisotropic Intermolecular Potentials for NO-Ar and NO-Kr from Total Differential Cross Section Measurements, P. Casavecchia, A. Laganà, G. G. Volpi, Chem. Phys. Lett. 112 (5), 445−451 (1984). 56. Deactivation of Vibrationally Excited Nitrogen Molecules by Collision with Nitrogen Atoms, A. Laganà, E. Garcia, L. Ciccarelli, J. Phys. Chem. 91 (2), 312−314 (1987). 57. Progress in the Nonequilibrium Vibrational Kinetics of Hydrogen in Magnetic Multicusp H− Ion Sources, C. Gorse, M. Capitelli, M. Bacal, J. Bretagne, A. Laganà, Chem. Phys. 117 (2), 177−195 (1987). 58. From Dynamics to Modeling of Plasma Complex Systems: Negative Ion (H−) Sources, C. Gorse, R. Celiberto, M. Cacciatore, A. Laganà, M. Capitelli, Chem. Phys. 161 (1), 211−227 (1992). 59. Deactivation Dynamics of Vibrationally Excited Nitrogen Molecules by Nitrogen Atoms. Effects on Nonequilibrium Vibrational Distribution and Dissociation Rates of Nitrogen under Electrical Discharges, I. Armenise, M. 4600



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Capitelli, E. Garcia, C. Gorse, A. Laganà, S. Longo, Chem. Phys. Lett. 200 (6), 597−604 (1992). Heavy−Heavy−Light Limit and Exchanged Atom Isotopic Effects in Atom−Diatom Reactivity, A. Laganà, A. Aguilar, X. Gimenez, J. M. Lucas, Chem. Phys. Lett. 189, 138−143 (1992). Temperature Dependence of Nitrogen Atom-Molecule Rate Coefficients, A. Laganà, E. Garcia, J. Phys. Chem. 98 (2), 502−507 (1994). The Effect of N+ N2 Collisions on the Nonequilibrium Vibrational Distributions of Nitrogen under Reentry Conditions, I. Armenise, M. Capitelli, R. Celiberto, G. Colonna, C. Gorse, A. Laganà, Chem. Phys. Lett. 227 (1), 157−163 (1994). On the Dynamics of the O(1D) + CF3Br Reaction, M. Alagia, N. Balucani, P. Casavecchia, A. Laganà, G. Ochoa de Aspuru, G. Lendvay, M. Alagia, N. Balucani, E. H. Van Kleef, G. G. Volpi, Chem. Phys. Lett. 258 (3), 323−329 (1996). Accurate Calculations of Cross Sections and Rate Coefficients of Some Atom−diatom Reactions Relevant to Plasma Chemistry, A. Laganà, S. Crocchianti, G. Ochoa de Aspuru, A. Riganelli, E. Garcia, Plasma Sources Sci. Technol. 6, 270−279 (1997). Rate Coefficients under Jet Conditions, A. Laganà, E. Garcia, Plasma Sources Sci. Technol. 7, 359−362 (1998). Properties of an Atom-Bond Additive Representation of the Interaction for Benzene-Argon Clusters, M. Alberti,́ A. Castro, A. Laganà, F. Pirani, M. Porrini, D. Cappelletti, Chem. Phys. Lett. 392 (4−6), 514−520 (2004). A Molecular Dynamics Investigation of Rare-Gas Solvated Cation-Benzene Clusters Using a New Model Potential, M. Alberti,́ A. Castro, A. Laganà, M. Moix, F. Pirani, D. Cappelletti, G. Liuti, J. Phys. Chem. A 109 (12), 2906−2911 (2005). the Last Mile of Molecular Reaction Dynamics Virtual Experiments: The Case of the OH (N = 1−10) + CO (j = 0−3) → H + CO2 Reaction, A. Laganà, E. Garcia, A. Paladini, P. Casavecchia, N. Balucani, Faraday Discuss. Chem. Soc. 157, 415−436 (2012). Carbon Dioxide Clathrate Hydrates: Selective Role of Intermolecular Interactions and Action of the SDS Catalyst, Lombardi, A., Laganà, A., Pirani, F., Palazzetti, F., Faginas-Lago, N. J. Phys. Chem. 117, 6991−7000 (2013). Molecular Physics of Elementary Processes Relevant to atom-Molecule, Molecule−Molecule and Atoms-Surface Processes, A. Laganà, A. Lombardi, F. Pirani, P. Gamallo, R. Sayos, I. Armenise, M. Cacciatore, F. Esposito, F. Rutigliano, Open Plasma Phys. J. 7, 48 (2014). Quasi resonant vibrational energy transfer in N2+N2 collisions: effect of the long-range interaction, E. Garcia, T Martinez, A. Laganà, Chem. Phys. Lett. 620, 103−108 (2015). Energy Transfer upon Collision of Selectively Excited CO2 Molecules: State-to-State Cross Sections and Probabilities for Modeling of Atmospheres and Gaseous Flows, A. Lombardi, N. Faginas-Lago, L. Pacifici, G. Grossi, J. Chem. Phys. 143, 034307 (2015).

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CONCURRENT COMPUTING

73. Vector and Parallel Restructuring for Approximate Quantum Reactive Scattering Computer Codes, A. Laganà,

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O. Gervasi, R. Baraglia, D. Laforenza, In High Performance Computing, J. L. Delhaye, E. Gelenbe, Eds. (North Holland, Amsterdam, 1989), pp 287−298. D + D2 Quasiclassical Rate Constant Calculations on Parallel Computers, A. Laganà, E. Garcia, O. Gervasi, R. Baraglia, D. Laforenza, R. Perego, Theor. Chim. Acta 79, 323−333 (1991). Modeling and Evaluation of a Task Farm Chemical Application on MIMD Architectures, R. Baraglia, R. Ferrini, D. Laforenza, R. Perego, O. Gervasi, A. Laganà, In High Performance Computing, M. Durand, F. El Dabaghi, Eds. (North Holland, Amsterdam, 1991), pp 17−30. a Massively Parallel Approach to Quasiclassical Reactive Scattering, R. Baraglia, R. Ferrini, D. Laforenza, R. Perego, A. Laganà, O. Gervasi, J. Math. Chem. 11, 1−11 (1992). Where Are Embarassingly Parallel Problems? The Atom Diatom Quasiclassical Reactivity, A. Laganà, O. Gervasi, R. Baraglia, D. Laforenza, R. Perego, Theor. Chim. Acta 84, 413−421 (1992). on the Optimization of a Task Farm Model for the Parallel Integration of a Two-Dimensional Schroedinger Equation, R. Baraglia, R. Ferrini, D. Laforenza, A. Laganà, In Algorithms and Architectures for Parallel Processing, A. Goscinski, M. Hobbs, W. Zhou, Eds. (IEEE World Scientific Publishing, 1997), pp 543−556. Metacomputing to Overcome the Power Limit of a Single Machine, R. Baraglia, R. Ferrini, D. Laforenza, A. Laganà, Lect. Notes Comput. Sci. 1225, 982−986 (1997). On the Optimization of a Pipeline Model to Integrate Reduced Dimensionality Schroedinger Equation for Distributed Memory Architectures, R. Baraglia, R. Ferrini, D. Laforenza, A. Laganà, Int. J. High Perform. Comput. Appl. 13 (1), 49−62 (1999). An Optimized Task-Farm Model to Integrate Reduced Dimensionality Schroedinger Equations on Distributed Memory Architectures, R. Baraglia, R. Ferrini, D. Laforenza, A. Laganà, Future Generation Comput. Syst. 15(4), 497−512 (1999). Quantum Reactive Scattering Calculations, In High Performance Cluster Computing, R. Baraglia, R. Ferrini, D. Laforenza, A. Laganà, B. Rajkumar, Ed. (Prentice Hall, 1999), Vol. 2, Chapter 28, pp 580−603. Parallel Approaches to Numerically Intensive Applications Using PVM, R. Baraglia, R. Ferrini, D. Laforenza, A. Laganà, Lect. Notes Comput. Sci. 1697, 364−371 (1999). Computational Granularity and Parallel Models to Scale up Reactive Scattering Calculations, A. Laganà, S. Crocchianti, A. Bolloni, V. Piermarini, R. Baraglia, R. Ferrini, D. Laforenza, Comput. Phys. Commun. 128/1−2, 295−315 (2000). A Grid Implementation of Direct Semiclassical Calculations of Rate Coefficients, A. Costantini, N. Faginas Lago, A. Laganà, F. Huarte Larranaga, Lect. Notes Comput. Sci., 5593, 93−103 (2009). COMPCHEM: Progress Toward GEMS a Grid Empowered Molecular Simulator and Beyond, A. Laganà, A. Costantini, O. Gervasi, N. Faginas Lago, C. Manuali, S. Rampino, J. Grid Computing 8 (4), 571−586 (2010). Quantum Reactive Scattering on Innovative Computing Platforms, L. Pacifici, D. Nalli, A. Laganà, Comput. Phys. Commun. 184 (5) 1372−1380 (2013). Grid Calculation Tools for Massive Applications of Collision Dynamics Simulations: Carbon Dioxide Energy DOI: 10.1021/acs.jpca.6b04682 J. Phys. Chem. A 2016, 120, 4599−4602


The Journal of Physical Chemistry A Transfer, A. Lombardi, N. Faginas-Lago, A. Laganà, Lect. Notes Comput. Sci. 8579, 571−584 (2014). 89. Grid Computing in Computational Chemistry, A. Laganà, C. Manuali, A. Costantini, In Elsevier Reference Module in Chemistry, Molecular Sciences and Chemical Engineering, J. Reedijk, Ed. (Elsevier, Waltham, MA, 2014).

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VIRTUAL COMMUNITIES

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KNOWLEDGE MANAGEMENT

90. A Web-Based Metacomputing Problem-Solving Environment for Complex Applications, R. Baraglia, D. Laforenza, A. Laganà, Lect. Notes Comput. Sci. 1971, 111−122 (2000). 91. SIMBEX: A Portal for the a Priori Simulation of Crossed Beam Experiments, O. Gervasi, A. Laganà, Future Generation Comput. Syst. 20 (5), 703−715 (2004). 92. On the Structuring of the Computational Chemistry Virtual Organization COMPCHEM, A. Laganà, A. Riganelli, O. Gervasi, Computational Science and Its Applications-ICCSA 2006, 665−674 (2006). 93. GriF: a Grid Framework for a Web Service Approach to Reactive Scattering, C. Manuali, A. Laganà, S. Rampino, Comput. Phys. Commun. 181 (7), 1179−1185 (2010). 94. GriF: A New Collaborative Framework for a Web, Service Approach to Grid Empowered Calculations, C. Manuali, A. Laganà, Future Generation Comput. Syst., 27(3), 315−318 (2011). 95. A Grid Credit System Empowering Virtual, Research Communities Sustainability, C. Manuali, A. Laganà, Lect. Notes Comput. Sci., 6784, 397−411 (2011). 96. An Innovative Synergistic Grid Approach to the Computational Study of Protein Aggregation Mechanisms, N. Faginas-Lago, M. Alberti,̀ A. Costantini, A. Laganà, A. Lombardi, L. Pacifici, J. Mol. Model. 20, 2226 (2014).

97. VMSLab-G: A Virtual Laboratory prototype for Molecular Science on the Grid, O. Gervasi, A. Riganelli, L. Pacifici, A. Laganà, Future Generation Comput. Syst., 20 (5), 717−726 (2004). 98. Taxonomy Management in a Federation of Distributed Repositories: A Chemistry Use Case, S. Tasso, S. Pallottelli, M. Ferroni, R. Bastianini, A. Laganà, Lect. Notes Comput. Sci. 7333, 358−370 (2012). 99. Code Interoperability and Standard Data Format in Quantum Chemistry and Dynamics: The Q5/D5cost Data Model, E. Rossi, S. Evangelisti, A. Laganà, A. Monari, S. Rampino, M. Verdicchio, C. Angeli, K. Baldridge, G. L. Bendazzoli, S. Borini, R. Cimiraglia, P. Kallay, H. P. Luethi, K. Ruud, J. Sanchez-Marin, A. Scemama, P. Szalay, A. Tajti, J. Comput. Chem. 35(8), 611−621 (2014). 100. Exchange of Learning Objects Between a Learning Management System and a Federation of Science Distributed Repositories, S. Pallottelli, S. Tasso, M. Rui, A. Laganà, I. Kozaris, Computational Science and Its Applications − Lect. Notes Comput. Sci. 9156, 371−383 (2015).

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Hundred Most Significant Publications of Antonio ... - ACS Publications

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