Tavernelli I - Search Results

1

Photophysics and photochemistry of a DNA-protein cross-linking model: a synergistic approach combining experiments and theory.

Micciarelli M, Valadan M, Della Ventura B, Di Fabio G, De Napoli L, Bonella S, Röthlisberger U, Tavernelli I, Altucci C, Velotta R. Micciarelli M, et al. Among authors: tavernelli i. J Phys Chem B. 2014 May 15;118(19):4983-92. doi: 10.1021/jp4115018. Epub 2014 May 2. J Phys Chem B. 2014. PMID: 24742276

2

Optimizing Quantum Classification Algorithms on Classical Benchmark Datasets.

John M, Schuhmacher J, Barkoutsos P, Tavernelli I, Tacchino F. John M, et al. Among authors: tavernelli i. Entropy (Basel). 2023 May 27;25(6):860. doi: 10.3390/e25060860. Entropy (Basel). 2023. PMID: 37372204 Free PMC article.

3

The odd-number cyclo[13]carbon and its dimer, cyclo[26]carbon.

Albrecht F, Rončević I, Gao Y, Paschke F, Baiardi A, Tavernelli I, Mishra S, Anderson HL, Gross L. Albrecht F, et al. Among authors: tavernelli i. Science. 2024 May 10;384(6696):677-682. doi: 10.1126/science.ado1399. Epub 2024 May 9. Science. 2024. PMID: 38723091

4

Aromaticity Reversal Induced by Vibrations in Cyclo[16]carbon.

Rončević I, Leslie FJ, Rossmannek M, Tavernelli I, Gross L, Anderson HL. Rončević I, et al. Among authors: tavernelli i. J Am Chem Soc. 2023 Dec 13;145(49):26962-26972. doi: 10.1021/jacs.3c10207. Epub 2023 Dec 1. J Am Chem Soc. 2023. PMID: 38039504 Free PMC article.

5

Optimization of effective atom centered potentials for london dispersion forces in density functional theory.

von Lilienfeld OA, Tavernelli I, Rothlisberger U, Sebastiani D. von Lilienfeld OA, et al. Among authors: tavernelli i. Phys Rev Lett. 2004 Oct 8;93(15):153004. doi: 10.1103/PhysRevLett.93.153004. Epub 2004 Oct 7. Phys Rev Lett. 2004. PMID: 15524874 Free article.

6

Variational optimization of effective atom centered potentials for molecular properties.

von Lilienfeld OA, Tavernelli I, Rothlisberger U, Sebastiani D. von Lilienfeld OA, et al. Among authors: tavernelli i. J Chem Phys. 2005 Jan 1;122(1):14113. doi: 10.1063/1.1829051. J Chem Phys. 2005. PMID: 15638648

7

Microsolvation effects on the excited-state dynamics of protonated tryptophan.

Mercier SR, Boyarkin OV, Kamariotis A, Guglielmi M, Tavernelli I, Cascella M, Rothlisberger U, Rizzo TR. Mercier SR, et al. Among authors: tavernelli i. J Am Chem Soc. 2006 Dec 27;128(51):16938-43. doi: 10.1021/ja065980n. J Am Chem Soc. 2006. PMID: 17177445

8

Trajectory surface hopping within linear response time-dependent density-functional theory.

Tapavicza E, Tavernelli I, Rothlisberger U. Tapavicza E, et al. Among authors: tavernelli i. Phys Rev Lett. 2007 Jan 12;98(2):023001. doi: 10.1103/PhysRevLett.98.023001. Epub 2007 Jan 8. Phys Rev Lett. 2007. PMID: 17358601

9

NMR solvent shifts of adenine in aqueous solution from hybrid QM/MM molecular dynamics simulations.

Komin S, Gossens C, Tavernelli I, Rothlisberger U, Sebastiani D. Komin S, et al. Among authors: tavernelli i. J Phys Chem B. 2007 May 17;111(19):5225-32. doi: 10.1021/jp067263l. Epub 2007 Apr 26. J Phys Chem B. 2007. PMID: 17458990

10

Optical spectra of Cu(II)-azurin by hybrid TDDFT-molecular dynamics simulations.

Cascella M, Cuendet MA, Tavernelli I, Rothlisberger U. Cascella M, et al. Among authors: tavernelli i. J Phys Chem B. 2007 Aug 30;111(34):10248-52. doi: 10.1021/jp071938i. Epub 2007 Aug 3. J Phys Chem B. 2007. PMID: 17676788

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