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(* corresponding author)


  1. Paoloni L, Rampino S*, Barone V, Potential-energy surfaces for ring-puckering motions of flexible cyclic molecules through Cremer-Pople coordinates: computation, analysis and fitting, Journal of Chemical Theory and Computation 15, 4280-4294 (2019), DOI: 10.1021/acs.jctc.9b00363

  2. De Santis M, Rampino S, Storchi L, Belpassi L, Tarantelli F, The chemical bond and s–d hybridization in coinage metal(I) cyanides, Inorganic Chemistry 58, 11716-11729 (2019), DOI: 10.1021/acs.inorgchem.9b01694

  3. Licari D, Rampino S*, Barone V, Machine learning of potential-energy surfaces within a bond-order sampling scheme, Lecture Notes in Computer Science 11624, 388-400 (2019), DOI: 10.1007/978-3-030-24311-1_28

  4. Nandi S, Calderini D, Bloino J, Rampino S*, Barone V, A modern-Fortran program for chemical kinetics on top of anharmonic vibrational calculations, Lecture Notes in Computer Science 11624, 401-412 (2019), DOI: 10.1007/978-3-030-24311-1_29

  5. Lupi J, Martino M, Salvadori A, Rampino S*, Mancini G, Barone V, Virtual Reality Tools for Advanced Modeling, AIP Conference Proceedings, 2145, 020001, 6 pp. (2019), DOI: 10.1063/1.5123562

  6. Patti A, Pedotti S, Mazzeo G, Longhi G, Abbate S, Paoloni L, Bloino J, Rampino S, Barone V, Ferrocenes with simple chiral substituents: an in-depth theoretical and experimental VCD and ECD study, Physical Chemistry Chemical Physics 21, 9419-9432 (2019), DOI: 10.1039/C9CP00437H

  7. Obenchain DA, Spada L, Alessandrini S, Rampino S, Herbers S, Tasinato N, Mendolicchio M, Kraus P, Gauss J, Puzzarini C, Grabow J-U, Barone V, Unveiling the sulfur-sulfur bridge: accurate structural and energetic characterization of a homochalcogen intermolecular bond, Angewandte Chemie International Edition 57, 15822-15826 (2018), DOI: 10.1002/anie.201810637, Angewandte Chemie 130, 16048-16052 (2018), DOI: 10.1002/ange.201810637

  8. Li W, Spada L, Tasinato N, Rampino S, Evangelisti L, Gualandi A, Cozzi PG Melandri S, Barone V, Puzzarini C, Theory meets experiment for noncovalent complexes: the puzzling case of pnicogen interactions, Angewandte Chemie International Edition 57, 13853-13857 (2018), DOI: 10.1002/anie.201807751, Angewandte Chemie 130, 14049-14053 (2018), DOI: 10.1002/ange.201807751

  9. Salvadori A, Fusè M, Mancini G, Rampino S*, Barone V, Diving into chemical bonding: an immersive analysis of the electron charge rearrangement through virtual reality, Journal of Computational Chemistry 39, 2607-2617 (2018), DOI: 10.1002/jcc.25523 (Cover Picture: 10.1002/jcc.25044)

  10. Fusè M, Rimoldi I, Facchetti G, Rampino S*, Barone V, Exploiting coordination geometry to selectively predict the σ-donor and π-acceptor abilities of ligands: a back-and-forth journey between electronic properties and spectroscopy, Chemical Communications 54, 2397-2400 (2018), DOI: 10.1039/C7CC09627E

  11. De Santis M, Rampino S*, Quiney HM, Belpassi L, Storchi L Charge-displacement analysis via natural orbitals for chemical valence in the four-component relativistic framework, Journal of Chemical Theory and Computation 14, 1286-1296 (2018), DOI: 10.1021/acs.jctc.7b01077

  12. Rampino S*, Storchi L, Laganà A, Automated simulation of gas-phase reactions on distributed and cloud computing infrastructures, Lecture Notes in Computer Science 10406, 60-73 (2017), DOI: 10.1007/978-3-319-62398-6_5

  13. Fusè M, Rimoldi I, Cesarotti E, Rampino S*, Barone V, On the relation between carbonyl stretching frequencies and the donor power of chelating diphosphines in nickel dicarbonyl complexes, Physical Chemistry Chemical Physics 19, 9028-9038 (2017), DOI: 10.1039/C7CP00982H

  14. Rampino S*, Suleimanov YV, Thermal rate coefficients for the astrochemical process C + CH+ → C2+ + H by ring polymer molecular dynamics, The Journal of Physical Chemistry A 120, 9887-9893 (2016), DOI: 10.1021/acs.jpca.6b10592

  15. Trombach L, Rampino S, Wang L-S, Schwerdtfeger P, Hollow gold cages and their topological relationship to dual fullerenes, Chemistry - A European Journal 22, 8823-8834 (2016), DOI: 10.1002/chem.201601239 (Cover Picture: 10.1002/chem.201602144, Cover Profile: 10.1002/chem.201602148)

  16. Rampino S*, Pastore M, Garcia E, Pacifici L, Laganà A, On the temperature dependence of the rate coefficient of formation of C2+ from C + CH+, Monthly Notices of the Royal Astronomical Society 460, 2368-2375 (2016), DOI: 10.1093/mnras/stw1116

  17. Pacifici L, Pastore M, Garcia E, Laganà A, Rampino S*, A dynamics investigation of the C + CH+ → C2+ + H reaction on an ab initio bond-order like potential, The Journal of Physical Chemistry A 120, 5125-5135 (2016), DOI: 10.1021/acs.jpca.6b00564

  18. Rampino S*, Configuration-space sampling in potential energy surface fitting: a space-reduced bond-order grid approach, The Journal of Physical Chemistry A 120, 4683-4692 (2016), DOI: 10.1021/acs.jpca.5b10018

  19. Bistoni G, Rampino S*, Scafuri N, Ciancaleoni G, Zuccaccia D, Belpassi L, Tarantelli F, How π back-donation quantitatively controls the CO stretching response in classical and non-classical metal carbonyl complexes, Chemical Science 7, 1174-1184 (2016), DOI: 10.1039/C5SC02971F

  20. Althorpe SC, Beniwal V, Bolhuis PG, Brandão J, Clary DC, Ellis J, Fang W, Glowacki DR, Hele TJH, Jónsson H, Kästner J, Makri N, Manolopoulos DE, McKemmish LK, Menzl G, Miller III TF, Miller WH, Pollak E, Rampino S, Richardson JO, Richter M, Chowdhury PR, Shalashilin D, Tennyson J, Welsch R, Fundamentals: general discussion (from themed collection Reaction Rate Theory), Faraday Discussions 195, 139-169 (2016), DOI: 10.1039/C6FD90077A

  21. Rampino S*, Storchi L, Belpassi L, Gold-superheavy-element interaction in diatomics and cluster adducts: a combined four-component Dirac-Kohn-Sham/charge-displacement study, The Journal of Chemical Physics 143, 024307, 8 pp. (2015), DOI: 10.1063/1.4926533

  22. Urzúa-Leiva R A, Rampino S*, Arratia-Perez R, Mosconi E, Pastore M, De Angelis F, Thermal fluctuations on Förster resonance energy transfer in dyadic solar cell sensitizers: a combined ab initio molecular dynamics and TDDFT investigation, The Journal of Physical Chemistry C 119, 16490-16499 (2015), DOI: 10.1021/acs.jpcc.5b04921

  23. Bistoni G, Rampino S*, Tarantelli F, Belpassi L, Charge-displacement analysis via natural orbitals for chemical valence: charge transfer effects in coordination chemistry, The Journal of Chemical Physics 142, 084112, 9 pp. (2015), DOI: 10.1063/1.4908537

  24. Rampino S*, Belpassi L, Tarantelli F, Storchi L, Full parallel implementation of an all-electron four-component Dirac-Kohn-Sham program, Journal of Chemical Theory and Computation 10, 3766-3776 (2014), DOI: 10.1021/ct500498m

  25. Laganà A, Rampino S*, A grid empowered virtual versus real experiment for the barrierless Li + FH → LiF + H reaction, Lecture Notes in Computer Science 8579, 571-584 (2014), DOI: 10.1007/978-3-319-09144-0_39

  26. Ciancaleoni G, Rampino S, Zuccaccia D, Tarantelli F, Belanzoni P, Belpassi L, An ab initio benchmark and DFT validation study on Gold(I)-catalyzed hydroamination of alkynes, Journal of Chemical Theory and Computation 10, 1021-1034 (2014), DOI: 10.1021/ct400980w

  27. Rossi E, Evangelisti S, Laganà A, Monari A, Rampino S , Verdicchio M, Baldridge K, Bendazzoli G L, Borini S, Cimiraglia R, Angeli C, Kallay P, Lüthi H P, Ruud K, Sanchez-Marin J, Scemama A, Szalay P, Tajti A, Code Interoperability and standard Data Formats in Quantum Chemistry and Quantum Dynamics: the Q5/D5cost Data Model, Journal of Computational Chemistry 35, 611-621 (2014), DOI: 10.1002/jcc.23492

  28. Storchi L, Rampino S, Belpassi L, Tarantelli F, Quiney H, Efficient parallel all-electron four-component Dirac-Kohn-Sham program using a distributed matrix approach II, Journal of Chemical Theory and Computation 9, 5356-5364 (2013), DOI: 10.1021/ct400752s

  29. Rampino S*, Faginas Lago N, Laganà A, Huarte-Larrañaga F, An extension of the Grid Empowered Molecular Simulator to quantum reactive scattering, Journal of Computational Chemistry 33, 708-714 (2012), DOI: 10.1002/jcc.22878

  30. Rampino S*, Laganà A, Bond Order uniform grids for quantum reactive scattering, International Journal of Quantum Chemistry 112, 1818-1828 (2012), DOI: 10.1002/qua.23058

  31. Rampino S*, Monari A, Evangelisti S, Rossi E, Laganà A, A priori modeling of chemical reactions on computational grid platforms: workflows and data models, Chemical Physics 398, 192-198 (2012), DOI: 10.1016/j.chemphys.2011.04.028

  32. Rampino S*, Pirani F, Garcia E, Laganà A, A study of the impact of long range interactions on the reactivity of N + N2 using the Grid Enabled Molecular Simulator, International Journal of Grid and Web Services 6, 196-212 (2010), DOI: 10.1504/IJWGS.2010.033792

  33. Laganà A, Costantini A, Gervasi O, Faginas Lago N, Manuali C, Rampino S, COMPCHEM: progress towards GEMS a Grid Empowered Molecular Simulator and beyond, Journal of Grid Computing 8, 571-586 (2010), DOI: 10.1007/s10723-010-9164-x

  34. Rampino S*, Garcia E, Pirani F, Laganà A, Accurate quantum dynamics on Grid platforms: some effects of long range interactions on the reactivity of N + N2, Lecture Notes in Computer Science 6019, 1-12 (2010), DOI: 10.1007/978-3-642-12189-0_1

  35. Manuali C, Laganà A, Rampino S, GriF: a Grid Framework for a Web Service approach to reactive scattering, Computer Physics Communications 181, 1179-1185 (2010), DOI: 10.1016/j.cpc.2010.03.001

  36. Rampino S*, Skouteris D, Laganà A, Microscopic branching processes: the O + O2 reaction and its relaxed potential representations, International Journal of Quantum Chemistry 110, 358-367 (2010), DOI: 10.1002/qua.22199

  37. Rampino S*, Skouteris D, Laganà A, The O + O2 reaction: quantum detailed probabilities and thermal rate coefficients, Theoretical Chemistry Accounts 123, 249-256 (2009), DOI: 10.1007/s00214-009-0524-1

  38. Rampino S, Skouteris D, Laganà A, Garcia E, Saracibar A, A comparison of the quantum state-specific efficiency of N + N2 reaction computed on different potential energy surfaces, Physical Chemistry Chemical Physics 11, 1752-1757 (2009), DOI: 10.1039/b818902a

  39. Laganà A, Faginas Lago N, Rampino S, Huarte Larrañaga F, Garcia E, Thermal rate coefficients in collinear versus bent transition state reactions: the N + N2 case study, Physica Scripta 78, 058116 (9pp) (2008), DOI: 10.1088/0031-8949/78/05/058116

  40. Rampino S*, Skouteris D, Laganà A, Garcia E, A comparison of the isotope effect for the N + N2 reaction calculated on two potential energy surfaces, Lecture Notes in Computer Science 5072, 1081-1093 (2008), DOI: 10.1007/978-3-540-69839-5_82


Other publications:

  1. Faginas Lago N, Laganà A, Rampino S, Foreword, VIRT&L-COMM 14, 14-2018.1, 2 pp. (2018), ISSN: 2279-8773

  2. Rampino S*, CUBES: a library and a program suite for manipulating orbitals and densities, VIRT&L-COMM 7, 7-2015.6, 2 pp. (2015), ISSN: 2279-8773

  3. Laganà A, Manuali C, Pacifici L, Rampino S, Costantini A, A new bottom up approach to the CMMST-VRE, VIRT&L-COMM 7, 7-2015.8, 12 pp. (2015), ISSN: 2279-8773

  4. Laganà A, Rampino S, General Chemistry on ICT Supports for School Teachers (TFA 2011-2012), VIRT&L-COMM 3, 3-2013.2, 1 p. (2013), ISSN: 2279-8773

  5. Laganà A, Manuali C, Rampino S, Costantini A, Rossi E, Carpené M, Ghiselli A, Cecchi M, High Performance Grid Computing: getting HPC and HTC all together, Proceedings of the EGI Community Forum 2012 / EMI Second Technical Conference, PoS(EGICF12-EMITC2)144 (2012), ISSN: 1824-8039

  6. Costantini A, Murri R, Maffioletti S, Rampino S, Laganà A, A Grid execution model for Computational Chemistry Applications using the GC3Pie framework and AppPot, Proceedings of the EGI Community Forum 2012 / EMI Second Technical Conference, PoS(EGICF12-EMITC2)058 (2012), ISSN: 1824-8039

  7. Rampino S*, Burghardt I, Laganà A, Bond Order coordinates for quantum reactive scattering: diatomic eigenvalue problem for collinear H + H2, Science and Supercomputing in Europe - research highlights 2010, 44 (2011), ISBN: 978-88-86037-24-2

  8. Rampino S*, Monari A, Evangelisti S, Rossi E, Ruud K, Laganà A, A priori modeling of chemical reactions on a grid based virtual laboratory, Proceedings of the Cracow Grid Workshop CGW09, 164-171 (2010), ISBN: 978-83-61433-01-9

  9. Rampino S*, Laganà A, Ferraro G, Lawley K, Time dependent quantum scattering using nonorthogonal coordinates - Parallel approach to the collinear A + BC → AB + C reaction, Science and Supercomputing in Europe - research highlights 2009, 23 (2010), ISBN: 978-88-86037-23-5




(c) Sergio Rampino 2015-8.

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Last update Sun Sep 8 08:02:05 CEST 2019