Parrinello M - Search Results

1

Pulling monatomic gold wires with single molecules: an Ab initio simulation.

Krüger D, Fuchs H, Rousseau R, Marx D, Parrinello M. Krüger D, et al. Among authors: parrinello m. Phys Rev Lett. 2002 Oct 28;89(18):186402. doi: 10.1103/PhysRevLett.89.186402. Epub 2002 Oct 10. Phys Rev Lett. 2002. PMID: 12398622

2

Ab initio simulation of phase transitions and dissociation of H2S at high pressure.

Rousseau R, Boero M, Bernasconi M, Parrinello M, Terakura K. Rousseau R, et al. Among authors: parrinello m. Phys Rev Lett. 2000 Aug 7;85(6):1254-7. doi: 10.1103/PhysRevLett.85.1254. Phys Rev Lett. 2000. PMID: 10991525

3

Solvation of radical cations in water--reactive or unreactive solvation?

Mohr M, Marx D, Parrinello M, Zipse H. Mohr M, et al. Among authors: parrinello m. Chemistry. 2000 Nov 3;6(21):4009-15. doi: 10.1002/1521-3765(20001103)6:21<4009::aid-chem4009>3.0.co;2-g. Chemistry. 2000. PMID: 11126963

4

The nature and transport mechanism of hydrated hydroxide ions in aqueous solution.

Tuckerman ME, Marx D, Parrinello M. Tuckerman ME, et al. Among authors: parrinello m. Nature. 2002 Jun 27;417(6892):925-9. doi: 10.1038/nature00797. Nature. 2002. PMID: 12087398

5

How Collective Phenomena Impact CO₂ Reactivity and Speciation in Different Media.

Polino D, Grifoni E, Rousseau R, Parrinello M, Glezakou VA. Polino D, et al. Among authors: parrinello m. J Phys Chem A. 2020 May 21;124(20):3963-3975. doi: 10.1021/acs.jpca.9b11744. Epub 2020 May 14. J Phys Chem A. 2020. PMID: 32302131

6

On the Quantum Nature of the Shared Proton in Hydrogen Bonds.

Tuckerman ME, Marx D, Klein ML, Parrinello M. Tuckerman ME, et al. Among authors: parrinello m. Science. 1997 Feb 7;275(5301):817-20. doi: 10.1126/science.275.5301.817. Science. 1997. PMID: 9012345

7

Anharmonic Raman spectra in high-pressure ice from ab initio simulations.

Putrino A, Parrinello M. Putrino A, et al. Among authors: parrinello m. Phys Rev Lett. 2002 Apr 29;88(17):176401. doi: 10.1103/PhysRevLett.88.176401. Epub 2002 Apr 16. Phys Rev Lett. 2002. PMID: 12005769

8

Ab initio molecular dynamics with a classical pressure reservoir: simulation of pressure-induced amorphization in a Si35H36 cluster.

Martonak R, Molteni C, Parrinello M. Martonak R, et al. Among authors: parrinello m. Phys Rev Lett. 2000 Jan 24;84(4):682-5. doi: 10.1103/PhysRevLett.84.682. Phys Rev Lett. 2000. PMID: 11017346

9

Confinement effects and acid strength in zeolites.

Grifoni E, Piccini G, Lercher JA, Glezakou VA, Rousseau R, Parrinello M. Grifoni E, et al. Among authors: parrinello m. Nat Commun. 2021 May 11;12(1):2630. doi: 10.1038/s41467-021-22936-0. Nat Commun. 2021. PMID: 33976197 Free PMC article.

10

Ab initio Molecular Dynamics Simulation of Laser Melting of Silicon.

Silvestrelli PL, Alavi A, Parrinello M, Frenkel D. Silvestrelli PL, et al. Among authors: parrinello m. Phys Rev Lett. 1996 Oct 7;77(15):3149-3152. doi: 10.1103/PhysRevLett.77.3149. Phys Rev Lett. 1996. PMID: 10062146 No abstract available.

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