Fusè M - Search Results

1

Exploiting coordination geometry to selectively predict the σ-donor and π-acceptor abilities of ligands: a back-and-forth journey between electronic properties and spectroscopy.

Fusè M, Rimoldi I, Facchetti G, Rampino S, Barone V. Fusè M, et al. Chem Commun (Camb). 2018 Mar 1;54(19):2397-2400. doi: 10.1039/c7cc09627e. Chem Commun (Camb). 2018. PMID: 29457171

2

VCD spectroscopy as an excellent probe of chiral metal complexes containing a carbon monoxide vibrational chromophore.

Fusè M, Mazzeo G, Longhi G, Abbate S, Zerla D, Rimoldi I, Contini A, Cesarotti E. Fusè M, et al. Chem Commun (Camb). 2015 Jun 7;51(45):9385-7. doi: 10.1039/c5cc02170g. Chem Commun (Camb). 2015. PMID: 25966832 Free article.

3

Vibrational circular dichroism and chiroptical properties of chiral Ir(iii) luminescent complexes.

Mazzeo G, Fusè M, Longhi G, Rimoldi I, Cesarotti E, Crispini A, Abbate S. Mazzeo G, et al. Among authors: fuse m. Dalton Trans. 2016 Jan 21;45(3):992-9. doi: 10.1039/c5dt03642a. Dalton Trans. 2016. PMID: 26647994

4

On the relation between carbonyl stretching frequencies and the donor power of chelating diphosphines in nickel dicarbonyl complexes.

Fusè M, Rimoldi I, Cesarotti E, Rampino S, Barone V. Fusè M, et al. Phys Chem Chem Phys. 2017 Mar 29;19(13):9028-9038. doi: 10.1039/c7cp00982h. Phys Chem Chem Phys. 2017. PMID: 28304027 Free PMC article.

5

Computational simulation of vibrationally resolved spectra for spin-forbidden transitions.

Egidi F, Fusè M, Baiardi A, Bloino J, Li X, Barone V. Egidi F, et al. Among authors: fuse m. Chirality. 2018 Jul;30(7):850-865. doi: 10.1002/chir.22864. Epub 2018 May 4. Chirality. 2018. PMID: 29727500 Free PMC article.

6

Cascade Reaction by Chemo- and Biocatalytic Approaches to Obtain Chiral Hydroxy Ketones and anti 1,3-Diols.

Gandolfi R, Facchetti G, Christodoulou MS, Fusè M, Meneghetti F, Rimoldi I. Gandolfi R, et al. Among authors: fuse m. ChemistryOpen. 2018 May 25;7(5):393-400. doi: 10.1002/open.201800056. eCollection 2018 May. ChemistryOpen. 2018. PMID: 29872614 Free PMC article.

7

Diving into chemical bonding: An immersive analysis of the electron charge rearrangement through virtual reality.

Salvadori A, Fusè M, Mancini G, Rampino S, Barone V. Salvadori A, et al. Among authors: fuse m. J Comput Chem. 2018 Dec 5;39(31):2607-2617. doi: 10.1002/jcc.25523. Epub 2018 Oct 2. J Comput Chem. 2018. PMID: 30280403

8

Towards the SMART workflow system for computational spectroscopy.

Licari D, Fusè M, Salvadori A, Tasinato N, Mendolicchio M, Mancini G, Barone V. Licari D, et al. Among authors: fuse m. Phys Chem Chem Phys. 2018 Nov 7;20(41):26034-26052. doi: 10.1039/c8cp03417f. Epub 2018 Oct 16. Phys Chem Chem Phys. 2018. PMID: 30324205

9

Two-level stochastic search of low-energy conformers for molecular spectroscopy: implementation and validation of MM and QM models.

Chandramouli B , Del Galdo S , Fusè M , Barone V , Mancini G . Chandramouli B , et al. Among authors: fuse m. Phys Chem Chem Phys. 2019 Sep 18;21(36):19921-19934. doi: 10.1039/c9cp03557e. Phys Chem Chem Phys. 2019. PMID: 31475256

10

Unbiased Determination of Absolute Configurations by vis-à-vis Comparison of Experimental and Simulated Spectra: The Challenging Case of Diplopyrone.

Fusè M, Mazzeo G, Longhi G, Abbate S, Masi M, Evidente A, Puzzarini C, Barone V. Fusè M, et al. J Phys Chem B. 2019 Oct 31;123(43):9230-9237. doi: 10.1021/acs.jpcb.9b08375. Epub 2019 Oct 18. J Phys Chem B. 2019. PMID: 31580674

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