Sfoglia per Autore
Full parallel implementation of an all-electron four-component Dirac-Kohn-Sham program
2014 Rampino, Sergio; Belpassi, Leonardo; Tarantelli, Francesco; Storchi, Loriano
Code interoperability and standard data formats in quantum chemistry and quantum dynamics: The Q5/D5Cost data model
2014 Rossi, Elda; Evangelisti, Stefano; Laganà, Antonio; Monari, Antonio; Rampino, Sergio; Verdicchio, Marco; Baldridge, Kim K.; Bendazzoli, Gian Luigi; Borini, Stefano; Cimiraglia, Renzo; Angeli, Celestino; Kallay, Peter; Lüthi, Hans P.; Ruud, Kenneth; Sanchez-Marin, José; Scemama, Anthony; Szalay, Peter G.; Tajti, Attila
A new bottom up approach to the CMMST-VRE
2015 Laganà, Antonio; Manuali, Carlo; Pacifici, Leonardo; Rampino, Sergio; Costantini, Alessandro
CUBES: a library and a program suite for manipulating orbitals and densities
2015 Rampino, Sergio
Charge-displacement analysis via natural orbitals for chemical valence: Charge transfer effects in coordination chemistry
2015 Bistoni, Giovanni; Rampino, Sergio; Tarantelli, Francesco; Belpassi, Leonardo
Gold-superheavy-element interaction in diatomics and cluster adducts: A combined four-component Dirac-Kohn-Sham/charge-displacement study
2015 Rampino, Sergio; Storchi, Loriano; Belpassi, Leonardo
Thermal Fluctuations on Förster Resonance Energy Transfer in Dyadic Solar Cell Sensitizers: A Combined Ab Initio Molecular Dynamics and TDDFT Investigation
2015 Urzúa-Leiva, Rodrigo A.; Rampino, Sergio; Arratia-Perez, Ramiro; Mosconi, Edoardo; Pastore, Mariachiara; Angelis, Filippo De
Hollow Gold Cages and Their Topological Relationship to Dual Fullerenes
2016 Trombach, Lukas; Rampino, Sergio; Wang, Lai-Sheng; Schwerdtfeger, Peter
How π back-donation quantitatively controls the CO stretching response in classical and non-classical metal carbonyl complexes
2016 Bistoni, Giovanni; Rampino, Sergio; Scafuri, Nicola; Ciancaleoni, Gianluca; Zuccaccia, Daniele; Belpassi, Leonardo; Tarantelli, Francesco
A Dynamics Investigation of the C + CH+ → C2++ H Reaction on an ab Initio Bond-Order-Like Potential
2016 Pacifici, Leonardo; Pastore, Mariachiara; Garcia, Ernesto; Laganà, Antonio; Rampino, Sergio
Hollow Gold Cages and Their Topological Relationship to Dual Fullerenes
2016 Trombach, Lukas; Rampino, Sergio; Wang, Lai-Sheng; Schwerdtfeger, Peter
Fundamentals: general discussion
2016 Althorpe, Stuart C.; Beniwal, Vijay; Bolhuis, Peter G.; Brandão, João; Clary, David C.; Ellis, John; Fang, Wei; Glowacki, David R.; Hele, Timothy J. H.; Jónsson, Hannes; Kästner, Johannes; Makri, Nancy; Manolopoulos, David E.; Mckemmish, Laura K.; Menzl, Georg; Miller III, Thomas F.; Miller, William H.; Pollak, Eli; Rampino, Sergio; Richardson, Jeremy O.; Richter, Martin; Roy Chowdhury, Priyadarshi; Shalashilin, Dmitry; Tennyson, Jonathan; Welsch, Ralph
Cover Picture: Hollow Gold Cages and Their Topological Relationship to Dual Fullerenes (Chem. Eur. J. 26/2016)
2016 Trombach, Lukas; Rampino, Sergio; Wang, Lai-Sheng; Schwerdtfeger, Peter
Thermal rate coefficients for the astrochemical process C + CH+ → C2++ H by ring polymer molecular dynamics
2016 Rampino, Sergio; Suleimanov, Yury V.
Configuration-Space Sampling in Potential Energy Surface Fitting: A Space-Reduced Bond-Order Grid Approach
2016 Rampino, Sergio
On the temperature dependence of the rate coefficient of formation of C2+from C + CH+
2016 Rampino, Sergio; Pastore, Mariachiara; Garcia, Ernesto; Pacifici, Leonardo; Laganà, Antonio
Automated simulation of gas-phase reactions on distributed and cloud computing infrastructures
2017 Rampino, Sergio; Storchi, Loriano; Laganà, Antonio
On the relation between carbonyl stretching frequencies and the donor power of chelating diphosphines in nickel dicarbonyl complexes
2017 Fusè, Marco; Rimoldi, Isabella; Cesarotti, Edoardo; Rampino, Sergio; Barone, Vincenzo
Foreword
2018 Faginas Lago, N; Laganà, A; Rampino, S
Charge-Displacement Analysis via Natural Orbitals for Chemical Valence in the Four-Component Relativistic Framework
2018 De Santis, Matteo; Rampino, Sergio; Quiney, Harry M; Belpassi, Leonardo; Storchi, Loriano
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