Marco Mendolicchio

Publication Activity (10 Years)

Years Active: 2017-2024
Publications (10 Years): 13

Top Topics

Molecular Dynamics Simulations

High Resolution

Energy Transfer

Tandem Mass Spectrometry

Top Venues

The journal of physical chemistry. A

Journal of chemical theory and computation

This page only lists publications with an associated author ORCID identifier.

Publications

Marco Mendolicchio, Vincenzo Barone
Unbiased Comparison between Theoretical and Experimental Molecular Structures and Properties: Toward an Accurate Reduced-Cost Evaluation of Vibrational Contributions. Journal of chemical theory and computation (2024)
Federico Lazzari, Marco Mendolicchio, Vincenzo Barone
Accurate Geometries of Large Molecules by Integration of the Pisa Composite Scheme and the Templating Synthon Approach. The journal of physical chemistry. A 128 (7) (2024)
Marco Mendolicchio, Vincenzo Barone
Unbiased Comparison between Theoretical and Experimental Molecular Structures and Properties: Toward an Accurate Reduced-Cost Evaluation of Vibrational Contributions. Journal of chemical theory and computation 20 (7) (2024)
Marco Mendolicchio, Vincenzo Barone
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. Journal of chemical theory and computation (2024)
Lina Uribe, Silvia Di Grande, Luigi Crisci, Federico Lazzari, Marco Mendolicchio, Vincenzo Barone
Accurate Structures and Rotational Constants of Steroid Hormones at DFT Cost: Androsterone, Testosterone, Estrone, β-Estradiol, and Estriol. The journal of physical chemistry. A 128 (13) (2024)
Federico Lazzari, Marco Mendolicchio, Vincenzo Barone
Accurate Geometries of Large Molecules by Integration of the Pisa Composite Scheme and the Templating Synthon Approach. The journal of physical chemistry. A (2024)
Lina Uribe, Silvia Di Grande, Luigi Crisci, Federico Lazzari, Marco Mendolicchio, Vincenzo Barone
Accurate Structures and Rotational Constants of Steroid Hormones at DFT Cost: Androsterone, Testosterone, Estrone, β-Estradiol, and Estriol. The journal of physical chemistry. A 128 (13) (2024)
Lina Uribe, Silvia Di Grande, Luigi Crisci, Federico Lazzari, Marco Mendolicchio, Vincenzo Barone
Accurate Structures and Rotational Constants of Steroid Hormones at DFT Cost: Androsterone, Testosterone, Estrone, β-Estradiol, and Estriol. The journal of physical chemistry. A (2024)
Vincenzo Barone, Silvia Di Grande, Federico Lazzari, Marco Mendolicchio
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). The journal of physical chemistry. A (2023)
Vincenzo Barone, Lina Marcela Uribe Grajales, Silvia Di Grande, Federico Lazzari, Marco Mendolicchio
DFT Meets Wave-Function Methods for Accurate Structures and Rotational Constants of Histidine, Tryptophan, and Proline. The journal of physical chemistry. A (2023)
Marco Mendolicchio, Julien Bloino, Vincenzo Barone
Perturb-Then-Diagonalize Vibrational Engine Exploiting Curvilinear Internal Coordinates. Journal of chemical theory and computation (2022)
Marco Mendolicchio, Julien Bloino, Vincenzo Barone
General Perturb-Then-Diagonalize Model for the Vibrational Frequencies and Intensities of Molecules Belonging to Abelian and Non-Abelian Symmetry Groups. Journal of chemical theory and computation 17 (7) (2021)
Marco Mendolicchio, Emanuele Penocchio, Daniele Licari, Nicola Tasinato, Vincenzo Barone
Development and Implementation of Advanced Fitting Methods for the Calculation of Accurate Molecular Structures. Journal of chemical theory and computation 13 (6) (2017)