Calzolari A - Search Results

1

Accurate and inexpensive prediction of the color optical properties of anthocyanins in solution.

Ge X, Timrov I, Binnie S, Biancardi A, Calzolari A, Baroni S. Ge X, et al. Among authors: calzolari a. J Phys Chem A. 2015 Apr 23;119(16):3816-22. doi: 10.1021/acs.jpca.5b01272. Epub 2015 Apr 10. J Phys Chem A. 2015. PMID: 25830823

2

Strain-dependence of the electronic properties in periodic quadruple helical G4-wires.

Di Felice R, Calzolari A, Garbesi A, Alexandre SS, Soler JM. Di Felice R, et al. Among authors: calzolari a. J Phys Chem B. 2005 Dec 1;109(47):22301-7. doi: 10.1021/jp054274q. J Phys Chem B. 2005. PMID: 16853904

3

Dielectric and thermal effects on the optical properties of natural dyes: a case study on solvated cyanin.

Malcıoğlu OB, Calzolari A, Gebauer R, Varsano D, Baroni S. Malcıoğlu OB, et al. Among authors: calzolari a. J Am Chem Soc. 2011 Oct 5;133(39):15425-33. doi: 10.1021/ja201733v. Epub 2011 Sep 9. J Am Chem Soc. 2011. PMID: 21905678

4

Complex materials for molecular spintronics applications: cobalt bis(dioxolene) valence tautomers, from molecules to polymers.

Calzolari A, Chen Y, Lewis GF, Dougherty DB, Shultz D, Nardelli MB. Calzolari A, et al. J Phys Chem B. 2012 Nov 1;116(43):13141-8. doi: 10.1021/jp3099895. Epub 2012 Oct 23. J Phys Chem B. 2012. PMID: 23072437

5

Multimodel Approach to the Optical Properties of Molecular Dyes in Solution.

Timrov I, Micciarelli M, Rosa M, Calzolari A, Baroni S. Timrov I, et al. Among authors: calzolari a. J Chem Theory Comput. 2016 Sep 13;12(9):4423-9. doi: 10.1021/acs.jctc.6b00417. Epub 2016 Aug 19. J Chem Theory Comput. 2016. PMID: 27442613

6

On the magnetic alignment of metal ions in a DNA-mimic double helix.

Zhang HY, Calzolari A, Di Felice R. Zhang HY, et al. Among authors: calzolari a. J Phys Chem B. 2005 Aug 18;109(32):15345-8. doi: 10.1021/jp052202t. J Phys Chem B. 2005. PMID: 16852946

7

Stability and migration of metal ions in G4-wires by molecular dynamics simulations.

Cavallari M, Calzolari A, Garbesi A, Di Felice R. Cavallari M, et al. Among authors: calzolari a. J Phys Chem B. 2006 Dec 28;110(51):26337-48. doi: 10.1021/jp064522y. J Phys Chem B. 2006. PMID: 17181293

8

Optoelectronic properties of natural cyanin dyes.

Calzolari A, Varsano D, Ruini A, Catellani A, Tel-Vered R, Yildiz HB, Ovits O, Willner I. Calzolari A, et al. J Phys Chem A. 2009 Jul 30;113(30):8801-10. doi: 10.1021/jp904966d. J Phys Chem A. 2009. PMID: 19583237

9

Looking Inside the Perchlorinated Trityl Radical/Metal Spinterface through Spectroscopy.

Mugnaini V, Calzolari A, Ovsyannikov R, Vollmer A, Gonidec M, Alcon I, Veciana J, Pedio M. Mugnaini V, et al. Among authors: calzolari a. J Phys Chem Lett. 2015 Jun 4;6(11):2101-6. doi: 10.1021/acs.jpclett.5b00848. Epub 2015 May 22. J Phys Chem Lett. 2015. PMID: 26266509

10

Spectroscopic identification of the chemical interplay between defects and dopants in Al-doped ZnO.

Benedetti S, Valenti I, di Bona A, Vinai G, Castan-Guerrero C, Valeri S, Catellani A, Ruini A, Torelli P, Calzolari A. Benedetti S, et al. Among authors: calzolari a. Phys Chem Chem Phys. 2017 Nov 8;19(43):29364-29371. doi: 10.1039/c7cp05864k. Phys Chem Chem Phys. 2017. PMID: 29075691

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