Galimberti D - 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. J Chem Phys. 2013 Apr 28;138(16):164115. doi: 10.1063/1.4802009. J Chem Phys. 2013. PMID: 23635119

2

Infrared intensities and charge mobility in hydrogen bonded complexes.

Galimberti D, Milani A, Castiglioni C. Galimberti D, et al. J Chem Phys. 2013 Aug 21;139(7):074304. doi: 10.1063/1.4818416. J Chem Phys. 2013. PMID: 23968089

3

Crystal structure and vibrational spectra of poly(trimethylene terephthalate) from periodic density functional theory calculations.

Galimberti D, Milani A. Galimberti D, et al. J Phys Chem B. 2014 Feb 20;118(7):1954-61. doi: 10.1021/jp411560r. Epub 2014 Feb 5. J Phys Chem B. 2014. PMID: 24467432

4

Intermolecular modulation of IR intensities in the solid state. The role of weak interactions in polyethylene crystal: A computational DFT study.

Galimberti D, Milani A, Maschio L, Castiglioni C. Galimberti D, et al. J Chem Phys. 2016 Oct 14;145(14):144901. doi: 10.1063/1.4964500. J Chem Phys. 2016. PMID: 27782503 Free article.

5

Static vs dynamic DFT prediction of IR spectra of flexible molecules in the condensed phase: The (ClCF₂CF(CF₃)OCF₂CH₃) liquid as a test case.

Galimberti DR, Milani A, Gaigeot MP, Radice S, Tonelli C, Picozzi R, Castiglioni C. Galimberti DR, et al. Spectrochim Acta A Mol Biomol Spectrosc. 2017 Aug 5;183:195-203. doi: 10.1016/j.saa.2017.04.013. Epub 2017 Apr 17. Spectrochim Acta A Mol Biomol Spectrosc. 2017. PMID: 28448957 Review.

6

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. 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

7

Assignment of IR spectra of ethanol at Brønsted sites of H-ZSM-5 to monomer adsorption using a Fermi resonance model.

Kumar D, Sauer J, Airi A, Bordiga S, Galimberti DR. Kumar D, et al. Among authors: galimberti dr. Phys Chem Chem Phys. 2024 Dec 18;27(1):550-563. doi: 10.1039/d4cp03861d. Phys Chem Chem Phys. 2024. PMID: 39655396

8

DFT-MD of the (110)-Co₃O₄ cobalt oxide semiconductor in contact with liquid water, preliminary chemical and physical insights into the electrochemical environment.

Creazzo F, Galimberti DR, Pezzotti S, Gaigeot MP. Creazzo F, et al. J Chem Phys. 2019 Jan 28;150(4):041721. doi: 10.1063/1.5053729. J Chem Phys. 2019. PMID: 30709279

9

2D H-Bond Network as the Topmost Skin to the Air-Water Interface.

Pezzotti S, Galimberti DR, Gaigeot MP. Pezzotti S, et al. J Phys Chem Lett. 2017 Jul 6;8(13):3133-3141. doi: 10.1021/acs.jpclett.7b01257. Epub 2017 Jun 23. J Phys Chem Lett. 2017. PMID: 28644626

10

Structural definition of the BIL and DL: a new universal methodology to rationalize non-linear χ⁽²⁾(ω) SFG signals at charged interfaces, including χ⁽³⁾(ω) contributions.

Pezzotti S , Galimberti DR , Shen YR , Gaigeot MP . Pezzotti S , et al. Phys Chem Chem Phys. 2018 Feb 14;20(7):5190-5199. doi: 10.1039/c7cp06110b. Phys Chem Chem Phys. 2018. PMID: 29393945

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