Sergio Rampino
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How π back-donation quantitatively controls the CO stretching response in classical and non-classical metal carbonyl complexes
G Bistoni, S Rampino, N Scafuri, G Ciancaleoni, D Zuccaccia, L Belpassi, ...
Chemical science 7 (2), 1174-1184, 2016
COMPCHEM: progress towards GEMS a Grid Empowered Molecular Simulator and beyond
A LaganÓ, A Costantini, O Gervasi, NF Lago, C Manuali, S Rampino
Journal of Grid Computing 8, 571-586, 2010
Charge-displacement analysis via natural orbitals for chemical valence: Charge transfer effects in coordination chemistry
G Bistoni, S Rampino, F Tarantelli, L Belpassi
The Journal of Chemical Physics 142 (8), 084112, 2015
An ab initio benchmark and DFT validation study on gold (I)-catalyzed hydroamination of alkynes
G Ciancaleoni, S Rampino, D Zuccaccia, F Tarantelli, P Belanzoni, ...
Journal of Chemical Theory and Computation 10 (3), 1021-1034, 2014
Theory meets experiment for noncovalent complexes: The puzzling case of pnicogen interactions
W Li, L Spada, N Tasinato, S Rampino, L Evangelisti, A Gualandi, ...
Angewandte Chemie 130 (42), 14049-14053, 2018
GriF: A Grid framework for a Web Service approach to reactive scattering
C Manuali, A LaganÓ, S Rampino
Computer Physics Communications 181 (7), 1179-1185, 2010
Unveiling the sulfur–sulfur bridge: Accurate structural and energetic characterization of a homochalcogen intermolecular bond
DA Obenchain, L Spada, S Alessandrini, S Rampino, S Herbers, ...
Angewandte Chemie International Edition 57 (48), 15822-15826, 2018
Diving into chemical bonding: An immersive analysis of the electron charge rearrangement through virtual reality
A Salvadori, M FusŔ, G Mancini, S Rampino, V Barone
Journal of computational chemistry 39 (31), 2607-2617, 2018
An extension of the grid empowered molecular simulator to quantum reactive scattering
S Rampino, N Faginas Lago, A LaganÓ, F Huarte‐Larra˝aga
Journal of Computational Chemistry 33 (6), 708-714, 2012
A priori modeling of chemical reactions on computational grid platforms: Workflows and data models
S Rampino, A Monari, E Rossi, S Evangelisti, A LaganÓ
Chemical Physics 398, 192-198, 2012
A comparison of the quantum state-specific efficiency of N+ N 2 reaction computed on different potential energy surfaces
S Rampino, D Skouteris, A Lagana, E Garcia, A Saracibar
Physical Chemistry Chemical Physics 11 (11), 1752-1757, 2009
Thermal rate coefficients in collinear versus bent transition state reactions: the N+ N2 case study
A LaganÓ, NF Lago, S Rampino, F Huarte-Larranaga, E GarcÝa
Physica Scripta 78 (5), 058116, 2008
Chemical promenades: Exploring potential‐energy surfaces with immersive virtual reality
M Martino, A Salvadori, F Lazzari, L Paoloni, S Nandi, G Mancini, ...
Journal of computational chemistry 41 (13), 1310-1323, 2020
On the relation between carbonyl stretching frequencies and the donor power of chelating diphosphines in nickel dicarbonyl complexes
M Fuse, I Rimoldi, E Cesarotti, S Rampino, V Barone
Physical Chemistry Chemical Physics 19 (13), 9028-9038, 2017
Code interoperability and standard data formats in quantum chemistry and quantum dynamics: The Q5/D5Cost data model
E Rossi, S Evangelisti, A Lagana, A Monari, S Rampino, M Verdicchio, ...
Journal of Computational Chemistry 35 (8), 611-621, 2014
On the temperature dependence of the rate coefficient of formation of C from C + CH+
S Rampino, M Pastore, E Garcia, L Pacifici, A LaganÓ
Monthly Notices of the Royal Astronomical Society 460 (3), 2368-2375, 2016
Microscopic branching processes: The O + O2 reaction and its relaxed potential representations
S Rampino, D Skouteris, A LaganÓ
International Journal of Quantum Chemistry 110 (2), 358-367, 2010
Charge-displacement analysis via natural orbitals for chemical valence in the four-component relativistic framework
M De Santis, S Rampino, HM Quiney, L Belpassi, L Storchi
Journal of chemical theory and computation 14 (3), 1286-1296, 2018
Gold–superheavy-element interaction in diatomics and cluster adducts: A combined four-component Dirac-Kohn-Sham/charge-displacement study
S Rampino, L Storchi, L Belpassi
The Journal of chemical physics 143 (2), 024307, 2015
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
M Fuse, I Rimoldi, G Facchetti, S Rampino, V Barone
Chemical Communications 54 (19), 2397-2400, 2018
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