State-of-the-Art Thermochemical and Kinetic Computations for Astrochemical Complex Organic Molecules: Formamide Formation in Cold Interstellar Clouds as a Case Study
Vazart, Fanny, Calderini, Danilo, Puzzarini, Cristina, Skouteris, Dimitrios, Barone, Vincenzo
Published in Journal of chemical theory and computation (08.11.2016)
Published in Journal of chemical theory and computation (08.11.2016)
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Journal Article
Ab initio instanton rate theory made efficient using Gaussian process regression
Laude, Gabriel, Calderini, Danilo, Tew, David P, Richardson, Jeremy O
Published in Faraday discussions (13.12.2018)
Published in Faraday discussions (13.12.2018)
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Journal Article
Reassessment of the Thermodynamic, Kinetic, and Spectroscopic Features of Cyanomethanimine Derivatives: A Full Anharmonic Perturbative Treatment
Vazart, Fanny, Calderini, Danilo, Skouteris, Dimitrios, Latouche, Camille, Barone, Vincenzo
Published in Journal of chemical theory and computation (10.03.2015)
Published in Journal of chemical theory and computation (10.03.2015)
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Journal Article
Ab initio instanton rate theory made efficient using Gaussian process regression
Laude, Gabriel, Calderini, Danilo, Tew, David P, Richardson, Jeremy O
Year of Publication 07.05.2018
Year of Publication 07.05.2018
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Journal Article