An extension of the grid empowered molecular simulator to quantum reactive scattering
2012 Rampino, S.; Faginas Lago, N.; Laganà, A.; Huarte-Larrañaga, F.
L’Equo (s)compenso comunitario
2024 Caponetti, Simone
Code interoperability and standard data formats in quantum chemistry and quantum dynamics: The Q5/D5Cost data model
2014 Rossi, E.; Evangelisti, S.; Lagana, A.; Monari, A.; Rampino, S.; Verdicchio, M.; Baldridge, K. K.; Bendazzoli, G. L.; Borini, S.; Cimiraglia, R.; Angeli, C.; Kallay, P.; Luthi, H. P.; Ruud, K.; Sanchez-Marin, J.; Scemama, A.; Szalay, P. G.; Tajti, A.
Configuration-Space Sampling in Potential Energy Surface Fitting: A Space-Reduced Bond-Order Grid Approach
2016 Rampino, S.
GriF: A Grid framework for a Web Service approach to reactive scattering
2010 Manuali, C.; Lagana, A.; Rampino, S.
COMPCHEM: Progress Towards GEMS a Grid Empowered Molecular Simulator and Beyond
2010 Lagana, A.; Costantini, A.; Gervasi, O.; Lago, N. F.; Manuali, C.; Rampino, S.
Charge-displacement analysis via natural orbitals for chemical valence in the four-component relativistic framework
2018 De Santis, M.; Rampino, S.; Quiney, H. M.; Belpassi, L.; Storchi, L.
A priori modeling of chemical reactions on computational grid platforms: Workflows and data models
2012 Rampino, S.; Monari, A.; Rossi, E.; Evangelisti, S.; Lagana, A.
Exploiting coordination geometry to selectively predict the r-donor and p-acceptor abilities of ligands: A back-and-forth journey between electronic properties and spectroscopy
2018 Fuse, M.; Rimoldi, I.; Facchetti, G.; Rampino, S.; Barone, V.
Fundamentals: General discussion
2016 Althorpe, S. C.; Beniwal, V.; Bolhuis, P. G.; Brandao, J.; Clary, D. C.; Ellis, J.; Fang, W.; Glowacki, D. R.; Hele, T. J. H.; Jonsson, H.; Kastner, J.; Makri, N.; Manolopoulos, D. E.; Mckemmish, L. K.; Menzl, G.; Miller, T. F.; Miller, W. H.; Pollak, E.; Rampino, S.; Richardson, J. O.; Richter, M.; Roy Chowdhury, P.; Shalashilin, D.; Tennyson, J.; Welsch, R.
Toward the Detection of Cyanoketene in the Interstellar Medium: New Hints from Quantum Chemistry and Rotational Spectroscopy
2023 Ballotta, B.; Marforio, T. D.; Rampino, S.; Martinez-Nunez, E.; Barone, V.; Melosso, M.; Bottoni, A.; Dore, L.
Chemical promenades: Exploring potential-energy surfaces with immersive virtual reality
2020 Martino, M.; Salvadori, A.; Lazzari, F.; Paoloni, L.; Nandi, S.; Mancini, G.; Barone, V.; Rampino, S.
Gold-superheavy-element interaction in diatomics and cluster adducts: A combined four-component Dirac-Kohn-Sham/charge-displacement study
2015 Rampino, S.; Storchi, L.; Belpassi, L.
A general user-friendly tool for kinetic calculations of multi-step reactions within the virtual multifrequency spectrometer project
2020 Nandi, S.; Ballotta, B.; Rampino, S.; Barone, V.
Local charge-displacement analysis: Targeting local charge-flows in complex intermolecular interactions
2022 Nottoli, G.; Ballotta, B.; Rampino, S.
Unveiling the Sulfur–Sulfur Bridge: Accurate Structural and Energetic Characterization of a Homochalcogen Intermolecular Bond
2018 Obenchain, D. A.; Spada, L.; Alessandrini, S.; Rampino, S.; Herbers, S.; Tasinato, N.; Mendolicchio, M.; Kraus, P.; Gauss, J.; Puzzarini, C.; Grabow, J. -U.; Barone, V.
Bond order uniform grids for quantum reactive scattering
2012 Rampino, S.; Lagana, A.
Роль митохондрий в развитии болезни Альцгеймера
2012 Kravenska, Y; Chopovska, V; Yavorskaya, E; Lukyanetz, E
Внесок Na+/Ca2+-обмінника у процеси Cа2+- та Cd2+-індукованої активації мітохондріальної пори перехідної проникності
2009 Kravenska, Y.; Nalyvaiko, N. V.; Dubitsky, L.; Fedirko, N. V.
Залежність Са2+-акумулювальної функції мітохондрій печінки від віку тварин
2008 Dubitsky, L. O.; Nalyvaiko, N. V.; Kravenska, Y.
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Data di pubblicazione
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- 2020 - 202535018
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