Accurate Thermochemical and Kinetic Parameters at Affordable Cost by Means of the Pisa Composite Scheme (PCS)

por Barone, Vincenzo, Crisci, Luigi, Di Grande, Silvia
Publicado 2023

Toward Accurate yet Effective Computations of Rotational Spectroscopy Parameters for Biomolecule Building Blocks

por Barone, Vincenzo, Di Grande, Silvia, Puzzarini, Cristina
Publicado 2023

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)

por Barone, Vincenzo, Di Grande, Silvia, Lazzari, Federico, Mendolicchio, Marco
Publicado 2023

Toward an Accurate Black-Box Tool for the Kinetics of Gas-Phase Reactions Involving Barrier-less Elementary Steps

por Crisci, Luigi, Di Grande, Silvia, Cavallotti, Carlo, Barone, Vincenzo
Publicado 2023

Absorption Spectra of Flexible Fluorescent Probes by a Combined Computational Approach: Molecular Dynamics Simulations and Time-Dependent Density Functional Theory

por Di Grande, Silvia, Ciofini, Ilaria, Adamo, Carlo, Pagliai, Marco, Cardini, Gianni
Publicado 2022

DFT Meets Wave-Function Methods for Accurate Structures and Rotational Constants of Histidine, Tryptophan, and Proline

por Barone, Vincenzo, Uribe Grajales, Lina Marcela, Di Grande, Silvia, Lazzari, Federico, Mendolicchio, Marco
Publicado 2023

Fabrication and Plasma Modification of Nanofibrous Tissue Engineering Scaffolds

por Asadian, Mahtab, Chan, Ke Vin, Norouzi, Mohammad, Grande, Silvia, Cools, Pieter, Morent, Rino, De Geyter, Nathalie
Publicado 2020

Obesity is an independent risk factor for pre-transplant portal vein thrombosis in liver recipients

por Ayala, Rosa, Grande, Silvia, Bustelos, Rosalía, Ribera, Carmen, García-Sesma, Alvaro, Jimenez, Carlos, Moreno, Enrique, Martínez-López, Joaquín
Publicado 2012

Radicals and Ions Formed in Plasma-Treated Organic Solvents: A Mechanistic Investigation to Rationalize the Enhancement of Electrospinnability of Polycaprolactone

por Grande, Silvia, Tampieri, Francesco, Nikiforov, Anton, Giardina, Agata, Barbon, Antonio, Cools, Pieter, Morent, Rino, Paradisi, Cristina, Marotta, Ester, De Geyter, Nathalie
Publicado 2019