Conservative Treatment of Dental Non-Carious Cervical Lesions: A Scoping Review

Autor: Assunta Patano, Giuseppina Malcangi, Matteo De Santis, Roberta Morolla, Vito Settanni, Fabio Piras, Alessio Danilo Inchingolo, Antonio Mancini, Francesco Inchingolo, Gianna Dipalma, Angelo Michele Inchingolo

Publikováno v: Biomedicines, Vol 11, Iss 6, p 1530 (2023)

This scoping review aims to evaluate methods of conservative reconstruction of dental enamel lesions resulting from abrasions and evaluate the effect of diode laser in reducing the symptoms of tooth sensitivity. The cementoenamel junction is more pro

Externí odkaz: https://doaj.org/article/b79772b1fd2043228a3b9f3d3ceb5dd2

Environment Effects on X-Ray Absorption Spectra With Quantum Embedded Real-Time Time-Dependent Density Functional Theory Approaches

Autor: Matteo De Santis, Valérie Vallet, André Severo Pereira Gomes

Publikováno v: Frontiers in Chemistry, Vol 10 (2022)

In this work we implement the real-time time-dependent block-orthogonalized Manby-Miller embedding (rt-BOMME) approach alongside our previously developed real-time frozen density embedding time-dependent density functional theory (rt-TDDFT-in-DFT FDE

Externí odkaz: https://doaj.org/article/82b20b287a34490fac3bee7e5e70834e

Frozen-Density Embedding for Including Environmental Effects in the Dirac-Kohn-Sham Theory: An Implementation Based on Density Fitting and Prototyping Techniques

Autor: Matteo, De Santis, Diego, Sorbelli, Valérie, Vallet, André Severo Pereira, Gomes, Loriano, Storchi, Leonardo, Belpassi

Publikováno v: Journal of chemical theory and computation. 18(10)

Frozen density embedding (FDE) represents an embedding scheme in which environmental effects are included from first-principles calculations by considering the surrounding system explicitly by means of its electron density. In the present paper, we e

Externí odkaz: https://explore.openaire.eu/search/publication?articleId=pmid________::14eeabbfa6d2fe64c50db6435990d71b
https://pubmed.ncbi.nlm.nih.gov/36172757

BERTHA and PyBERTHA: State of the Art for Full Four-Component Dirac-Kohn-Sham Calculations

Autor: Loriano Storchi, Matteo de Santis, Leonardo Belpassi

While since mid-seventies it has been clearly shown that relativistic effects play a crucial role for the complete understanding of the chemistry of molecules especially when heavy elements are involved, still nowadays in most of the case the relativ

Externí odkaz: https://explore.openaire.eu/search/publication?articleId=doi_________::0a3406c26debf94f2b89c65b5fa0d4dd
https://doi.org/10.3233/apc200060

Spectroscopic/Bond Property Relationship in Group 11 Dihydrides via Relativistic Four-Component Methods

Autor: Matteo De Santis, Paola Belanzoni, Leonardo Belpassi, Diego Sorbelli

Publikováno v: The journal of physical chemistry. A (2020). doi:10.1021/acs.jpca.0c09043
info:cnr-pdr/source/autori:Sorbelli, Diego; De Santis, Matteo; Belanzoni, Paola; Belpassi, Leonardo/titolo:Spectroscopic%2FBond Property Relationship in Group 11 Dihydrides via Relativistic Four-Component Methods/doi:10.1021%2Facs.jpca.0c09043/rivista:The journal of physical chemistry. A/anno:2020/pagina_da:/pagina_a:/intervallo_pagine:/volume
The Journal of Physical Chemistry. a

Group 11 dihydrides MH2– (M = Cu, Ag, Au, Rg) have been much less studied than the corresponding MH compounds, despite having potentially several interesting applications in chemical research. In this work, their main spectroscopic constants (bond

Externí odkaz: https://explore.openaire.eu/search/publication?articleId=doi_dedup___::f00f0d9821cf815020c8c353c860a887
http://www.scopus.com/record/display.url?eid=2-s2.0-85097839211&origin=inward