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Autor publikacji Ivan Carnimeo
Accurate Vibrational–Rotational Parameters and Infrared Intensities of 1-Bromo-1-fluoroethene: A Joint Experimental Analysis and Ab Initio Study
Pietropolli Charmet Andrea, Stoppa Paolo, Giorgianni Santi, Bloino Julien, Tasinato Nicola, Carnimeo Ivan, Biczysko Małgorzata, Puzzarini Cristina
Computational Tools for Structure, Spectroscopy and Thermochemistry
Barone Vincenzo, Biczysko Małgorzata, Carnimeo Ivan
Ultrafast resonance energy transfer in the umbelliferone–alizarin bichromophore
Lapini Andrea, Fabbrizzi Pierangelo, Piccardo Matteo, di Donato Mariangela, Lascialfari Luisa, Foggi Paolo, Cicchi Stefano, Biczysko Małgorzata, Carnimeo Ivan, Santoro Fabrizio, Cappelli Chiara, Righini Roberto
An integrated experimental and quantum-chemical investigation on the vibrational spectra of chlorofluoromethane
Pietropolli Charmet Andrea, Stoppa Paolo, Tasinato Nicola, Giorgianni Santi, Barone Vincenzo, Biczysko Małgorzata, Bloino Julien, Cappelli Chiara, Carnimeo Ivan, Puzzarini Cristina
Anharmonic theoretical simulations of infrared spectra of halogenated organic compounds
Carnimeo Ivan, Puzzarini Cristina, Tasinato Nicola, Stoppa Paolo, Pietropolli Charmet Andrea, Biczysko Małgorzata, Cappelli Chiara, Barone Vincenzo
Fully ab initio IR spectra for complex molecular systems from perturbative vibrational approaches: Glycine as a test case
Biczysko Małgorzata, Bloino Julien, Carnimeo Ivan, Panek Paweł, Barone Vincenzo
Toward anharmonic computations of vibrational spectra for large molecular systems.
Barone Vincenzo, Biczysko Małgorzata S., Bloino Julien, Borkowska-Panek Monika, Carnimeo Ivan, Panek Paweł
Reliable structural, thermodynamic, and spectroscopic properties of organic molecules adsorbed on silicon surfaces from computational modeling: the case of glycine@Si(100)
Carnimeo Ivan, Biczysko Małgorzata, Bloino Julien, Barone Vincenzo