Castiglioni C - Search Results

1

Charge mobility in molecules: charge fluxes from second derivatives of the molecular dipole.

Galimberti D, Milani A, Castiglioni C. Galimberti D, et al. Among authors: castiglioni c. J Chem Phys. 2013 Apr 28;138(16):164115. doi: 10.1063/1.4802009. J Chem Phys. 2013. PMID: 23635119

2

Resonance Raman contribution to the D band of carbon materials: modeling defects with quantum chemistry.

Negri F, di Donato E, Tommasini M, Castiglioni C, Zerbi G, Müllen K. Negri F, et al. Among authors: castiglioni c. J Chem Phys. 2004 Jun 22;120(24):11889-900. doi: 10.1063/1.1710853. J Chem Phys. 2004. PMID: 15268223

3

Intramolecular vibrational force fields for linear carbon chains through an adaptative linear scaling scheme.

Tommasini M, Fazzi D, Milani A, Del Zoppo M, Castiglioni C, Zerbi G. Tommasini M, et al. Among authors: castiglioni c. J Phys Chem A. 2007 Nov 15;111(45):11645-51. doi: 10.1021/jp0757006. Epub 2007 Oct 17. J Phys Chem A. 2007. PMID: 17941620

4

Raman scattering of molecular graphenes.

Tommasini M, Castiglioni C, Zerbi G. Tommasini M, et al. Among authors: castiglioni c. Phys Chem Chem Phys. 2009 Nov 21;11(43):10185-94. doi: 10.1039/b913660f. Epub 2009 Sep 21. Phys Chem Chem Phys. 2009. PMID: 19865776

5

Modeling of molecular charge distribution on the basis of experimental infrared intensities and first-principles calculations: the case of CH bonds.

Milani A, Castiglioni C. Milani A, et al. Among authors: castiglioni c. J Phys Chem A. 2010 Jan 14;114(1):624-32. doi: 10.1021/jp908146d. J Phys Chem A. 2010. PMID: 19888738

6

Resistive memories based on Rose Bengal and related xanthene derivatives: insights from modeling charge transport properties.

Fazzi D, Castiglioni C, Negri F. Fazzi D, et al. Among authors: castiglioni c. Phys Chem Chem Phys. 2010 Feb 21;12(7):1600-9. doi: 10.1039/b920792a. Epub 2010 Jan 14. Phys Chem Chem Phys. 2010. PMID: 20126776

7

FT-IR spectroscopy and DFT calculations on fluorinated macromer diols: IR intensity and association properties.

Radice S, Di Dedda E, Tonelli C, Della Pergola R, Milani A, Castiglioni C. Radice S, et al. Among authors: castiglioni c. J Phys Chem B. 2010 May 20;114(19):6332-6. doi: 10.1021/jp101840f. J Phys Chem B. 2010. PMID: 20426441

8

Quantum-chemical insights into the prediction of charge transport parameters for a naphthalenetetracarboxydiimide-based copolymer with enhanced electron mobility.

Fazzi D, Caironi M, Castiglioni C. Fazzi D, et al. Among authors: castiglioni c. J Am Chem Soc. 2011 Nov 30;133(47):19056-9. doi: 10.1021/ja208824d. Epub 2011 Nov 9. J Am Chem Soc. 2011. PMID: 22047108

9

Ab initio calculation of the crystalline structure and IR spectrum of polymers: nylon 6 polymorphs.

Quarti C, Milani A, Civalleri B, Orlando R, Castiglioni C. Quarti C, et al. Among authors: castiglioni c. J Phys Chem B. 2012 Jul 19;116(28):8299-311. doi: 10.1021/jp303715v. Epub 2012 Jul 5. J Phys Chem B. 2012. PMID: 22697809

10

Ab initio calculation of the IR spectrum of PTFE: helical symmetry and defects.

Quarti C, Milani A, Castiglioni C. Quarti C, et al. Among authors: castiglioni c. J Phys Chem B. 2013 Jan 17;117(2):706-18. doi: 10.1021/jp3102145. Epub 2013 Jan 2. J Phys Chem B. 2013. PMID: 23244728

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