Danilo Calderini

State-of-the-Art Thermochemical and Kinetic Computations for Astrochemical Complex Organic Molecules: Formamide Formation in Cold Interstellar Clouds as a Case Study

Fanny Vazart, Danilo Calderini, Cristina Puzzarini et al. · Journal of Chemical Theory and Computation · 2016 · 68 citations

<i>Ab initio</i> instanton rate theory made efficient using Gaussian process regression

Gabriel Laude, Danilo Calderini, David P. Tew et al. · Faraday Discussions · 2018 · 68 citations · Full text

Numerical Analysis, Gaussian Process Regression, Engineering +11

Methods for Calculating Partition Functions of Molecules Involving Large Amplitude and/or Anharmonic Motions

Dimitrios Skouteris, Danilo Calderini, Vincenzo Barone · Journal of Chemical Theory and Computation · 2016 · 39 citations · Full text

Engineering, Computational Chemistry, Harmonic Space +16

Hydrogenoid orbitals revisited: From Slater orbitals to Coulomb Sturmians#

Danilo Calderini, Simonetta Cavalli, Cecilia Coletti et al. · Journal of Chemical Sciences · 2012 · 24 citations

Quantum Science, Physics, Hydrogen Transition +4

Reassessment of the Thermodynamic, Kinetic, and Spectroscopic Features of Cyanomethanimine Derivatives: A Full Anharmonic Perturbative Treatment

Fanny Vazart, Danilo Calderini, Dimitrios Skouteris et al. · Journal of Chemical Theory and Computation · 2015 · 22 citations

Vibronic Interaction, Engineering, Heterocyclic +15