MENDOLICCHIO, Marco

MENDOLICCHIO, Marco  

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Titolo Data di pubblicazione Autori Tipo File
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 Yang, QinMendolicchio, MarcoBarone, VincenzoBloino, Julien 1.1 Articolo in rivista
Accurate Geometries of Large Molecules by Integration of the Pisa Composite Scheme and the Templating Synthon Approach 2024 Mendolicchio, MarcoBarone, Vincenzo + 1.1 Articolo in rivista
Accurate Structure and Spectroscopic Properties of Azulene and Its Derivatives by Means of Pisa Composite Schemes and Vibrational Perturbation Theory to Second Order 2024 Uribe, LinaMendolicchio, MarcoTasinato, NicolaBarone, Vincenzo. + 1.1 Articolo in rivista
Accurate structures and rotational constants of bicyclic monoterpenes at DFT cost by means of the bond-corrected Pisa composite scheme (BPCS) 2024 Uribe, LinaCrisci, LuigiMendolicchio, MarcoBarone, Vincenzo + 1.1 Articolo in rivista
Accurate Structures and Rotational Constants of Steroid Hormones at DFT Cost: Androsterone, Testosterone, Estrone, β-Estradiol, and Estriol 2024 Uribe, LinaCrisci, LuigiMendolicchio, MarcoBarone, Vincenzo + 1.1 Articolo in rivista
Accurate Structures and Spectroscopic Parameters of Guanine Tautomers in the Gas Phase by the Pisa Conventional and Explicitly Correlated Composite Schemes (PCS and PCS-F12) 2023 Barone, VincenzoMendolicchio, Marco + 1.1 Articolo in rivista
Accurate Vibrational and Ro-Vibrational Contributions to the Properties of Large Molecules by a New Engine Employing Curvilinear Internal Coordinates and Vibrational Perturbation Theory to Second Order 2024 Mendolicchio, MarcoBarone, Vincenzo. 1.1 Articolo in rivista
Development and Implementation of Advanced Fitting Methods for the Calculation of Accurate Molecular Structures 2017 MENDOLICCHIO, MARCOPENOCCHIO, EMANUELELICARI, DANIELETASINATO, NicolaBARONE, Vincenzo 1.1 Articolo in rivista
Development and implementation of theoretical models for the prediction of molecular structures and vibrational spectra 2021 MENDOLICCHIO, MARCO 9.1 Tesi PhD
DFT Meets Wave-Function Methods for Accurate Structures and Rotational Constants of Histidine, Tryptophan, and Proline 2023 Barone, VincenzoUribe Grajales, Lina MarcelaMendolicchio, Marco + 1.1 Articolo in rivista
EXPLORING A CHEMICAL ROUTE FOR THE FORMATION OF STABLE ANIONS OF POLYYNES [CnH−(n= 2, 4)] IN MOLECULAR CLOUDS 2016 MENDOLICCHIO, MARCOPALAZZETTI, FEDERICOPISERCHIA, AndreaBARONE, Vincenzo + 1.1 Articolo in rivista
General Perturb-Then-Diagonalize Model for the Vibrational Frequencies and Intensities of Molecules Belonging to Abelian and Non-Abelian Symmetry Groups 2021 Mendolicchio M.Bloino J.Barone V. 1.1 Articolo in rivista
Harnessing the power of curvilinear internal coordinates : from molecular structure prediction to vibrational spectroscopy 2023 Mendolicchio, Marco 1.1 Articolo in rivista
Molecular structures with spectroscopic accuracy at DFT cost by the templating synthon approach and the PCS141 database 2025 Crisci, LuigiMendolicchio, MarcoBarone, Vincenzo. + 1.1 Articolo in rivista
Perturb-Then-Diagonalize Vibrational Engine Exploiting Curvilinear Internal Coordinates 2022 Mendolicchio M.Bloino J.Barone V. 1.1 Articolo in rivista
Reduced Cost Computation and Exploitation of Accurate Radial Interaction Potentials for Barrier-Less Processes 2024 Crisci, LuigiBallotta, BernardoMendolicchio, MarcoBarone, Vincenzo 1.1 Articolo in rivista
Rotational and Infrared Spectroscopy of Ethanimine: A Route toward Its Astrophysical and Planetary Detection 2018 Melli, AlessioTasinato, NicolaSpada, LorenzoBloino, JulienMendolicchio, MarcoBarone, VincenzoPuzzarini, Cristina + 1.1 Articolo in rivista
Structural and Electronic Evolution of Ethanolamine upon Microhydration: Insights from Hyperfine Resolved Rotational Spectroscopy 2024 Mendolicchio, MarcoGou, QianBarone, Vincenzo + 1.1 Articolo in rivista
Structural features of the carbon–sulfur chemical bond: a semi-experimental perspective 2016 PENOCCHIO, EMANUELEMENDOLICCHIO, MARCOTASINATO, NicolaBARONE, Vincenzo 1.1 Articolo in rivista
Structures and Rotational Constants of Monocyclic Monoterpenes at DFT Cost by Pisa Composite Schemes and Vibrational Perturbation Theory 2025 Uribe, LinaCrisci, LuigiMendolicchio, MarcoBarone, Vincenzo. + 1.1 Articolo in rivista