Castiglioni C - Search Results

1

Combining Static and Dynamical Approaches for Infrared Spectra Calculations of Gas Phase Molecules and Clusters.

Galimberti DR, Milani A, Tommasini M, Castiglioni C, Gaigeot MP. Galimberti DR, et al. Among authors: castiglioni c. J Chem Theory Comput. 2017 Aug 8;13(8):3802-3813. doi: 10.1021/acs.jctc.7b00471. Epub 2017 Jul 11. J Chem Theory Comput. 2017. PMID: 28654750

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

Raman spectroscopy of polyconjugated molecules and materials: confinement effect in one and two dimensions.

Castiglioni C, Tommasini M, Zerbi G. Castiglioni C, et al. Philos Trans A Math Phys Eng Sci. 2004 Nov 15;362(1824):2425-59. doi: 10.1098/rsta.2004.1448. Philos Trans A Math Phys Eng Sci. 2004. PMID: 15482986

4

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

5

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

6

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

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

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

9

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

10

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

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