Sebastiani D - Search Results

1

Dynamical Dimension to the Hofmeister Series: Insights from First-Principles Simulations.

Bekçioğlu-Neff G, Allolio C, Desmukh YS, Hansen MR, Sebastiani D. Bekçioğlu-Neff G, et al. Among authors: sebastiani d. Chemphyschem. 2016 Apr 18;17(8):1166-73. doi: 10.1002/cphc.201501150. Epub 2016 Feb 11. Chemphyschem. 2016. PMID: 26864593

2

Columnar packing motifs of functionalized perylene derivatives: local molecular order despite long-range disorder.

Hansen MR, Graf R, Sekharan S, Sebastiani D. Hansen MR, et al. Among authors: sebastiani d. J Am Chem Soc. 2009 Apr 15;131(14):5251-6. doi: 10.1021/ja8095703. J Am Chem Soc. 2009. PMID: 19301900

3

Empty helical nanochannels with adjustable order from low-symmetry macrocycles.

Fritzsche M, Bohle A, Dudenko D, Baumeister U, Sebastiani D, Richardt G, Spiess HW, Hansen MR, Höger S. Fritzsche M, et al. Among authors: sebastiani d. Angew Chem Int Ed Engl. 2011 Mar 21;50(13):3030-3. doi: 10.1002/anie.201007437. Epub 2011 Feb 15. Angew Chem Int Ed Engl. 2011. PMID: 21404392 No abstract available.

4

Approaches to the solvation of the molecular probe N-methyl-6-quinolone in its excited state.

Allolio C, Sebastiani D. Allolio C, et al. Among authors: sebastiani d. Phys Chem Chem Phys. 2011 Sep 28;13(36):16395-403. doi: 10.1039/c1cp21110b. Epub 2011 Aug 11. Phys Chem Chem Phys. 2011. PMID: 21837322

5

A strategy for revealing the packing in semicrystalline π-conjugated polymers: crystal structure of bulk poly-3-hexyl-thiophene (P3HT).

Dudenko D, Kiersnowski A, Shu J, Pisula W, Sebastiani D, Spiess HW, Hansen MR. Dudenko D, et al. Among authors: sebastiani d. Angew Chem Int Ed Engl. 2012 Oct 29;51(44):11068-72. doi: 10.1002/anie.201205075. Epub 2012 Oct 4. Angew Chem Int Ed Engl. 2012. PMID: 23038051

6

An ab initio microscope: molecular contributions to the femtosecond time-dependent fluorescence shift of a Reichardt-type dye.

Allolio C, Sajadi M, Ernsting NP, Sebastiani D. Allolio C, et al. Among authors: sebastiani d. Angew Chem Int Ed Engl. 2013 Feb 4;52(6):1813-6. doi: 10.1002/anie.201204532. Epub 2013 Jan 2. Angew Chem Int Ed Engl. 2013. PMID: 23283840 No abstract available.

7

H-bonding competition and clustering in aqueous LiI.

Allolio C, Salas-Illanes N, Desmukh YS, Hansen MR, Sebastiani D. Allolio C, et al. Among authors: sebastiani d. J Phys Chem B. 2013 Aug 29;117(34):9939-46. doi: 10.1021/jp4033468. Epub 2013 Aug 16. J Phys Chem B. 2013. PMID: 23909514

8

First principles calculation of inhomogeneous broadening in solid-state cw-EPR spectroscopy.

Elgabarty H, Wolff M, Glaubitz A, Hinderberger D, Sebastiani D. Elgabarty H, et al. Among authors: sebastiani d. Phys Chem Chem Phys. 2013 Oct 14;15(38):16082-9. doi: 10.1039/c3cp51938d. Epub 2013 Aug 28. Phys Chem Chem Phys. 2013. PMID: 23985880

9

Competition between excited state proton and OH(-) transport via a short water wire: solvent effects open the gate.

Bekçioğlu G, Allolio C, Ekimova M, Nibbering ET, Sebastiani D. Bekçioğlu G, et al. Among authors: sebastiani d. Phys Chem Chem Phys. 2014 Jul 14;16(26):13047-51. doi: 10.1039/c4cp00970c. Phys Chem Chem Phys. 2014. PMID: 24770698

10

Ab initio H2O in realistic hydrophilic confinement.

Allolio C, Klameth F, Vogel M, Sebastiani D. Allolio C, et al. Among authors: sebastiani d. Chemphyschem. 2014 Dec 15;15(18):3955-62. doi: 10.1002/cphc.201402371. Epub 2014 Sep 11. Chemphyschem. 2014. PMID: 25208765

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