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Parametrization and Validation of Coarse Grained Force-Fields Derived from ab Initio Calculations
American Chemical Society | 2006| -
Developing accurate intramolecular force fields for conjugated systems through explicit coupling terms
Free accessBASE | 2018|Contributors: Prampolini, Giacomo -
Parametrization and Validation of Intramolecular Force Fields Derived from DFT Calculations
American Chemical Society | 2007| -
Intermolecular interactions in eumelanins: a computational bottom-up approach. I. small building blocks
National licenceRoyal Society of Chemistry | 2015| -
Accuracy of quantum mechanically derived force-fields parameterized from dispersion-corrected DFT data: the benzene dimer as a prototype for aromatic interactions
Free accessBASE | 2015|Contributors: Prampolini, Giacomo -
The phenoxyl group-modulated interplay of cation–π and σ-type interactions in the alkali metal series
Royal Society of Chemistry | 2020| -
Perturbative multireference configuration interaction (CI-MRPT2) calculations in a focused dynamical approach: A computational study of solvatochromism in pyrimidine
Free accessBASE | 2015|Contributors: Prampolini, Giacomo
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