Uscito il bando Dottorati PON tematiche green

Uscito il bando Dottorati PON tematiche green

E' stato pubblicato il bando per l'assegnazione di borse aggiuntive di Dottorato su tematiche green a valere sui fondi PON 2014-2020. Al Dottorato in Scienze Chimiche e dei Materiali sono...

Bando PRIMULE@DSCM per dottorandi/e

Bando PRIMULE@DSCM per dottorandi/e

E' stato pubblicato sull'albo ufficiale di ateneo il Bando PRIMULE@DSCM. Il bando, riservato a allievi/e di Dottorato in corso, è volto a finanziare progetti di ricerca di 1 anno da...


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second order choleskyCongratulations to our PhD student Tommaso Nottoli for his publication entitled: “A black-box, general purpose quadratic self-consistent field code with and without Cholesky decomposition of the two-electron integrals”. In this work, we present the implementation of a quadratically convergent self-consistent field (QCSCF) algorithm based on an adaptive trust-radius optimization scheme for restricted open-shell Hartree–Fock (ROHF), restricted Hartree–Fock (RHF), and unrestricted Hartree–Fock (UHF) references.

qmmm multilayer multiscaleCongratulations to our PhD student Michele Nottoli for his publication entitled: Energy, Structures, and Response Properties with a Fully Coupled QM/AMOEBA/ddCOSMO Implementation. In this work, we present the implementation of a fully coupled polarizable QM/MM/continuum model based on the AMOEBA polarizable force field and the domain decomposition implementation of the conductor-like screening model.

synthesis chiral polycyclesWe present two novel linear fused pyran-dioxane based bi- and tricycles, synthesized with total stereoselectivity from a glycal derived vinyl epoxide. Chiral heteropolycyclic structures are widespread in compounds of high pharmaceutical relevance. In particular, linear fused pyran-dioxane based polycycles can be found in several naturally occurring molecules, and among them, cardiac glycosides and antibiotic spectinomycin are characterized by a cis–cisoid–trans geometry.

co pyrolysis biomass ega msCongratulations to our Ph.D. student Federica Nardella for her publication entitled "Co-pyrolysis of wood and plastic: Evaluation of synergistic effects and kinetic data by evolved gas analysis-mass spectrometry (EGA-MS)". Co-pyrolysis of biomass and plastics gives rise to synergistic effects that can improve the properties of the resulting bio-oil. In this paper, the co-pyrolysis of lignocellulose (softwoods and hardwoods) and plastic (polyethylene and polystyrene) mixtures at different ratios was investigated by evolved gas analysis-mass spectrometry (EGA-MS).

crispr cas12a bacteriaCongratulations to our Ph.D. students Andrea Bonini, Noemi Poma and Federico Vivaldi from the Chemistry Lab for Analytical Technologies and Sensors (CATS), for their recent research article entitled "A label-free impedance biosensing assay based on CRISPR/Cas12a collateral activity for bacterial DNA detection". The rapid and selective identification in the clinical setting of pathogenic bacteria causing healthcare associated infections (HAIs) and in particular blood stream infections (BSIs) is a major challenge.

carotenoids ocp xanthophyllsCongratulation to our PhD Mattia Bondanza for his publication on JPCL "Excited States of Xanthophylls Revisited: Toward the Simulation ofBiologically Relevant Systems". Xanthophylls are a class of oxygen-containing carotenoids, which play afundamental role in light-harvesting pigment−protein complexes and in many photoresponsive proteins. The complexity of the manifold of the electronic states and the large sensitivity to the environment still prevent a clear and coherent interpretation of their photophysics and photochemistry.

Dipartimento di Chimica
e Chimica Industriale
Department of Chemistry

and Industrial Chemistry
Via G. Moruzzi, 13 - Pisa, Italy
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Corso di Dottorato in
Scienze Chimiche e dei Materiali
Doctoral School in Chemistry
and Material Science
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