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Items: 1 to 20 of 33

1.

Superhydrogenation of pentacene: the reactivity of zigzag-edges.

Campisi D, Simonsen FDS, Thrower JD, Jaganathan R, Hornekær L, Martinazzo R, Tielens AGGM.

Phys Chem Chem Phys. 2020 Jan 21;22(3):1557-1565. doi: 10.1039/c9cp05440e. Epub 2019 Dec 24.

PMID:
31872819
2.

To bend or not to bend, the dilemma of multiple bonds.

Pizzochero M, Bonfanti M, Martinazzo R.

Phys Chem Chem Phys. 2019 Dec 11;21(48):26342-26350. doi: 10.1039/c9cp05192a.

PMID:
31782416
3.

Vibronic coupling models for donor-acceptor aggregates using an effective-mode scheme: Application to mixed Frenkel and charge-transfer excitons in oligothiophene aggregates.

Popp W, Polkehn M, Hughes KH, Martinazzo R, Burghardt I.

J Chem Phys. 2019 Jun 28;150(24):244114. doi: 10.1063/1.5100529.

4.

Dual-Route Hydrogenation of the Graphene/Ni Interface.

Lizzit D, Trioni MI, Bignardi L, Lacovig P, Lizzit S, Martinazzo R, Larciprete R.

ACS Nano. 2019 Feb 26;13(2):1828-1838. doi: 10.1021/acsnano.8b07996. Epub 2019 Jan 22.

PMID:
30633501
5.

Multi-configurational Ehrenfest simulations of ultrafast nonadiabatic dynamics in a charge-transfer complex.

Ma T, Bonfanti M, Eisenbrandt P, Martinazzo R, Burghardt I.

J Chem Phys. 2018 Dec 28;149(24):244107. doi: 10.1063/1.5062608.

6.

Magnetic Moments and Electron Transport through Chromium-Based Antiferromagnetic Nanojunctions.

Bragato M, Achilli S, Cargnoni F, Ceresoli D, Martinazzo R, Soave R, Trioni MI.

Materials (Basel). 2018 Oct 18;11(10). pii: E2030. doi: 10.3390/ma11102030.

7.

Sticking of atomic hydrogen on graphene.

Bonfanti M, Achilli S, Martinazzo R.

J Phys Condens Matter. 2018 Jul 18;30(28):283002. doi: 10.1088/1361-648X/aac89f. Epub 2018 May 30.

8.

Full quantum dynamical investigation of the Eley-Rideal reaction forming H2 on a movable graphitic substrate at T = 0 K.

Pasquini M, Bonfanti M, Martinazzo R.

Phys Chem Chem Phys. 2018 Jan 3;20(2):977-988. doi: 10.1039/c7cp07080b.

9.

Note: Caldeira-Leggett model describes dynamics of hydrogen atoms on graphene.

Gottwald F, Bonfanti M, Martinazzo R, Ivanov SD, Kühn O.

J Chem Phys. 2016 Sep 28;145(12):126101. No abstract available.

PMID:
27782622
10.

Inherently Chiral Spider-Like Oligothiophenes.

Sannicolò F, Mussini PR, Benincori T, Martinazzo R, Arnaboldi S, Appoloni G, Panigati M, Quartapelle Procopio E, Marino V, Cirilli R, Casolo S, Kutner W, Noworyta K, Pietrzyk-Le A, Iskierko Z, Bartold K.

Chemistry. 2016 Jul 25;22(31):10839-47. doi: 10.1002/chem.201504899. Epub 2016 Jun 20.

11.

Hydrogen on silicene: like or unlike graphene?

Pizzochero M, Bonfanti M, Martinazzo R.

Phys Chem Chem Phys. 2016 Jun 21;18(23):15654-66. doi: 10.1039/c6cp01491g. Epub 2016 May 25.

PMID:
27223269
12.

Quantum dynamical investigation of the isotope effect in H2 formation on graphite at cold collision energies.

Pasquini M, Bonfanti M, Martinazzo R.

Phys Chem Chem Phys. 2016 Mar 7;18(9):6607-17. doi: 10.1039/c5cp07272g. Epub 2016 Feb 12.

PMID:
26868899
13.

Hydrogen adsorption on nitrogen and boron doped graphene.

Pizzochero M, Leenaerts O, Partoens B, Martinazzo R, Peeters FM.

J Phys Condens Matter. 2015 Oct 28;27(42):425502. doi: 10.1088/0953-8984/27/42/425502. Epub 2015 Oct 6.

PMID:
26439097
14.

Quantum dynamics of hydrogen atoms on graphene. II. Sticking.

Bonfanti M, Jackson B, Hughes KH, Burghardt I, Martinazzo R.

J Chem Phys. 2015 Sep 28;143(12):124704. doi: 10.1063/1.4931117.

15.

Quantum dynamics of hydrogen atoms on graphene. I. System-bath modeling.

Bonfanti M, Jackson B, Hughes KH, Burghardt I, Martinazzo R.

J Chem Phys. 2015 Sep 28;143(12):124703. doi: 10.1063/1.4931116.

16.

Electron transport in carbon wires in contact with Ag electrodes: a detailed first principles investigation.

Bonardi P, Achilli S, Tantardini GF, Martinazzo R.

Phys Chem Chem Phys. 2015 Jul 28;17(28):18413-25. doi: 10.1039/c5cp02796a.

PMID:
26106869
17.

Inherently chiral macrocyclic oligothiophenes: easily accessible electrosensitive cavities with outstanding enantioselection performances.

Sannicolò F, Mussini PR, Benincori T, Cirilli R, Abbate S, Arnaboldi S, Casolo S, Castiglioni E, Longhi G, Martinazzo R, Panigati M, Pappini M, Quartapelle Procopio E, Rizzo S.

Chemistry. 2014 Nov 17;20(47):15298-302. doi: 10.1002/chem.201404331. Epub 2014 Sep 26.

18.

Hydrogen-dimer lines and electron waveguides in graphene.

Achilli S, Tantardini GF, Martinazzo R.

Phys Chem Chem Phys. 2014 Sep 7;16(33):17610-6. doi: 10.1039/c4cp01025f.

19.

Adiabatic potential energy surfaces for the low-energy collisional dynamics of C(+)((2)P) ions with H2 molecules.

Bonfanti M, Tantardini GF, Martinazzo R.

J Phys Chem A. 2014 Aug 21;118(33):6595-603. doi: 10.1021/jp5031834. Epub 2014 Jul 8.

PMID:
24972261
20.

Insights into H2 formation in space from ab initio molecular dynamics.

Casolo S, Tantardini GF, Martinazzo R.

Proc Natl Acad Sci U S A. 2013 Apr 23;110(17):6674-7. doi: 10.1073/pnas.1301433110. Epub 2013 Apr 9.

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