Emanuele Penocchio

Semi-Experimental Equilibrium Structure Determinations by Employing B3LYP/SNSD Anharmonic Force Fields: Validation and Application to Semirigid Organic Molecules

Matteo Piccardo, Emanuele Penocchio, Cristina Puzzarini et al. · The Journal of Physical Chemistry A · 2015 · 194 citations · Full text

Semiexperimental Equilibrium Structures for Building Blocks of Organic and Biological Molecules: The B2PLYP Route

Emanuele Penocchio, Matteo Piccardo, Vincenzo Barone · Journal of Chemical Theory and Computation · 2015 · 119 citations

Building Blocks, Phenyl Radical, Engineering +15

Insights from an information thermodynamics analysis of a synthetic molecular motor

Shuntaro Amano, Massimiliano Esposito, Elisabeth Kreidt et al. · Nature Chemistry · 2022 · 104 citations · Full text

Thermodynamic Modelling, Engineering, Physics +12

Kinetic and energetic insights into the dissipative non-equilibrium operation of an autonomous light-powered supramolecular pump

Stefano Corrà, Marina Tranfić Bakić, Jessica Groppi et al. · Nature Nanotechnology · 2022 · 100 citations · Full text

Dissipative Non-equilibrium Operation, Biophysics, Self-propulsion +1

CC/DFT Route toward Accurate Structures and Spectroscopic Features for Observed and Elusive Conformers of Flexible Molecules: Pyruvic Acid as a Case Study

Vincenzo Barone, Małgorzata Biczysko, Julien Bloino et al. · Journal of Chemical Theory and Computation · 2015 · 83 citations · Full text

Relative Stabilities, Engineering, Stable Pa Conformer +13