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Journal of Chemical Theory and Computation|December 16, 2016
Method Dependence of Proline Ring Flexibility in the Poly-l-Proline Type II PolymerMichele Cutini, Marta Corno, Piero UgliengoJournal of Chemical Theory and Computation|March 23, 2021
Balancing Cost and Accuracy in Quantum Mechanical Simulations on Collagen Protein ModelsMichele Cutini, Irene Bechis, Marta Corno, et al.The Journal of Chemical Physics|August 22, 2021
Infrared harmonic features of collagen models at B3LYP-D3: From amide bands to the THz regionMichele Cutini, Piero UgliengoJournal of Chemical Theory and Computation|June 16, 2016
Assessment of Different Quantum Mechanical Methods for the Prediction of Structure and Cohesive Energy of Molecular CrystalsMichele Cutini, Bartolomeo Civalleri, Marta Corno, et al.The Journal of Physical Chemistry Letters|November 19, 2019
Elucidating the Nature of Interactions in Collagen Triple-Helix WrappingMichele Cutini, Stefano Pantaleone, Piero UgliengoJournal of Chemical Theory and Computation|July 2, 2020
Exfoliation Energy of Layered Materials by DFT-D: Beware of Dispersion!Michele Cutini, Lorenzo Maschio, Piero UgliengoACS Omega|August 29, 2019
Cost-Effective Quantum Mechanical Approach for Predicting Thermodynamic and Mechanical Stability of Pure-Silica ZeolitesMichele Cutini, Bartolomeo Civalleri, Piero UgliengoThe Journal of Physical Chemistry. B|August 1, 2019
Decoding Collagen Triple Helix Stability by Means of Hybrid DFT SimulationsMichele Cutini, Massimo Bocus, Piero UgliengoJournal of Chemical Theory and Computation|November 20, 2015
Does Dispersion Dominate over H-Bonds in Drug-Surface Interactions? The Case of Silica-Based Materials As Excipients and Drug-Delivery AgentsMassimo Delle Piane, Marta Corno, Piero UgliengoPhysical Chemistry Chemical Physics : PCCP|May 25, 2006
Periodic ab initio study of structural and vibrational features of hexagonal hydroxyapatite Ca10(PO4)6(OH)2Marta Corno, Claudia Busco, Bartolomeo Civalleri, et al.Pageof 10