MENDOLICCHIO, MARCO
MENDOLICCHIO, MARCO
Classe di Scienze
Accuracy and Reliability in the Simulation of Vibrational Spectra: A Comprehensive Benchmark of Energies and Intensities Issuing From Generalized Vibrational Perturbation Theory to Second Order (GVPT2)
2021-01-01 Yang, Qin; Mendolicchio, Marco; Barone, Vincenzo; Bloino, Julien
Development and Implementation of Advanced Fitting Methods for the Calculation of Accurate Molecular Structures
2017-01-01 Mendolicchio, Marco; Penocchio, Emanuele; Licari, Daniele; Tasinato, Nicola; Barone, Vincenzo
Development and implementation of theoretical models for the prediction of molecular structures and vibrational spectra
2021-09-20 Mendolicchio, Marco
EXPLORING A CHEMICAL ROUTE FOR THE FORMATION OF STABLE ANIONS OF POLYYNES [CnH−(n= 2, 4)] IN MOLECULAR CLOUDS
2016-01-01 Gianturco, F. A.; Satta, M.; Mendolicchio, Marco; Palazzetti, Federico; Piserchia, Andrea; Barone, Vincenzo; Wester, R.
General Perturb-Then-Diagonalize Model for the Vibrational Frequencies and Intensities of Molecules Belonging to Abelian and Non-Abelian Symmetry Groups
2021-01-01 Mendolicchio, M.; Bloino, J.; Barone, V.
Rotational and Infrared Spectroscopy of Ethanimine: A Route toward Its Astrophysical and Planetary Detection
2018-01-01 Melli, Alessio; Melosso, Mattia; Tasinato, Nicola; Bosi, Giulio; Spada, Lorenzo; Bloino, Julien; Mendolicchio, Marco; Dore, Luca; Barone, Vincenzo; Puzzarini, Cristina
Structural features of the carbon–sulfur chemical bond: a semi-experimental perspective
2016-01-01 Penocchio, Emanuele; Mendolicchio, Marco; Tasinato, Nicola; Barone, Vincenzo
Systematic Study on the Absorption Features of Interstellar Ices in the Presence of Impurities
2020-01-01 Gorai, P.; Sil, M.; Das, A.; Sivaraman, B.; Chakrabarti, S. K.; Ioppolo, S.; Puzzarini, C.; Kanuchova, Z.; Dawes, A.; Mendolicchio, M.; Mancini, G.; Barone, V.; Nakatani, N.; Shimonishi, T.; Mason, N.
Theory meets experiment for unravelling the C1s X-ray photoelectron spectra of pyridine, 2-fluoropyridine, and 2,6-difluoropyridine
2019-01-01 Mendolicchio, M.; Baiardi, A.; Fronzoni, G.; Stener, M.; Grazioli, C.; De Simone, M.; Barone, V.
Towards the SMART workflow system for computational spectroscopy
2018-01-01 Licari, D.; Fusè, M.; Salvadori, A.; Tasinato, N.; Mendolicchio, M.; Mancini, G.; Barone, V.
Unveiling the Sulfur-Sulfur Bridge: Accurate Structural and Energetic Characterization of a Homochalcogen Intermolecular Bond
2018-01-01 Obenchain, Daniel A.; Spada, Lorenzo; Alessandrini, Silvia; Rampino, Sergio; Herbers, Sven; Tasinato, Nicola; Mendolicchio, Marco; Kraus, Peter; Gauss, Jürgen; Puzzarini, Cristina; Grabow, Jens-Uwe; Barone, Vincenzo
Vibrationally resolved NEXAFS at C and N K-edges of pyridine, 2-fluoropyridine and 2,6-difluoropyridine: A combined experimental and theoretical assessment
2015-01-01 Baiardi, Alberto; Mendolicchio, Marco; Barone, Vincenzo; Fronzoni, Giovanna; Cardenas Jimenez, Gustavo Adolfo; Stener, Mauro; Grazioli, Cesare; De Simone, Monica; Coreno, Marcello