We are excited to announce that TheCraft group will participate in the upcoming ACS Meeting with 16 talks and 3 posters – a tue scientific wave(let)!
https://www.acs.org/events/fall.html
The Craft at Unina
Theoretical and Computational Chemistry Craft@Unina
Pagina di TheCraft, il gruppo di Chimica Teorica e Computazionale dell'Università Federico II di Napoli - Page of TheCraft, the group of Theoretical and Computational Chemistry at the Federico II of Napoli-We develop and apply methods to simulate, understand and design important events in biochemistry, photochemistry and spectroscopy.
15/05/2025
17/07/2023
![Direct observation of the solvent organization and nuclear vibrations of [Ru(dcbpy)2(NCS)2]4−, [dcbpy = (4,4′-dicarboxy-2,2′-bipyridine)], via ab initio molecular dynamics](https://img3.schoolandcollegelistings.com/781/181/2891204367811814.jpg)
08/09/2021
+++TheCraft+++
😻👏😎
Dear Dr Petrone,
......
I am delighted to let you know that this (n.d.r. your recent paper) was extremely well received, and has been selected by our Editors as a 2021 HOT PCCP article. Please find the collection, now including your publication, here.
Direct observation of the solvent organization and nuclear vibrations of [Ru(dcbpy)2(NCS)2]4−, [dcbpy = (4,4′-dicarboxy-2,2′-bipyridine)], via ab initio molecular dynamics Environmental effects can drastically influence the optical properties and photoreactivity of molecules, particularly in the presence of polar and/or protic solvents. In this work we investigate a negatively charged Ru(ii) complex, [Ru(dcbpy)2(NCS)2]4− [dcbpy = (4,4′-dicarboxy-2,2′-bipyridine)...
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Ubicazione
Digitare
Sito Web
Indirizzo
Department Of Chemical Sciences University Of Napoli Federico II, Via Cintia
Naples
80126