Wales DJ - Search Results

1

Counterion-Trapped-Molecules: From High Polarity and Enriched IR Spectra to Induced Isomerization.

Naumkin FY, Wales DJ. Naumkin FY, et al. Among authors: wales dj. Chemphyschem. 2020 Feb 17;21(4):348-355. doi: 10.1002/cphc.201901112. Epub 2020 Jan 16. Chemphyschem. 2020. PMID: 31944545

2

Interplay between charge and vibrational delocalization in cationic helium clusters.

Calvo F, Naumkin FY, Wales DJ. Calvo F, et al. Among authors: wales dj. J Chem Phys. 2011 Sep 28;135(12):124308. doi: 10.1063/1.3641895. J Chem Phys. 2011. PMID: 21974523

3

H2 molecules encapsulated in extended Ben cluster cages: toward light-metal nanofoams for hydrogen storage.

Naumkin FY, Wales DJ. Naumkin FY, et al. Among authors: wales dj. J Phys Chem A. 2011 Nov 10;115(44):12105-10. doi: 10.1021/jp206869g. Epub 2011 Oct 14. J Phys Chem A. 2011. PMID: 21999658

4

Energy Landscapes of Carbon Clusters from Tight-Binding Quantum Potentials.

Furman D, Naumkin F, Wales DJ. Furman D, et al. Among authors: wales dj. J Phys Chem A. 2022 Apr 21;126(15):2342-2352. doi: 10.1021/acs.jpca.2c00834. Epub 2022 Apr 7. J Phys Chem A. 2022. PMID: 35389225

5

The dynamics of conformational isomerization in flexible biomolecules. II. Simulating isomerizations in a supersonic free jet with master equation dynamics.

Evans DA, Wales DJ, Dian BC, Zwier TS. Evans DA, et al. Among authors: wales dj. J Chem Phys. 2004 Jan 1;120(1):148-57. doi: 10.1063/1.1626541. J Chem Phys. 2004. PMID: 15267271

6

Protonated water clusters described by an empirical valence bond potential.

James T, Wales DJ. James T, et al. Among authors: wales dj. J Chem Phys. 2005 Apr 1;122(13):134306. doi: 10.1063/1.1869987. J Chem Phys. 2005. PMID: 15847464

7

Theory of C2Hx species on Pt{110} (1x2): reaction pathways for dehydrogenation.

Anghel AT, Wales DJ, Jenkins SJ, King DA. Anghel AT, et al. Among authors: wales dj. J Chem Phys. 2007 Jan 28;126(4):044710. doi: 10.1063/1.2429068. J Chem Phys. 2007. PMID: 17286502

8

Energy landscapes for water clusters in a uniform electric field.

James T, Wales DJ, Hernández Rojas J. James T, et al. Among authors: wales dj. J Chem Phys. 2007 Feb 7;126(5):054506. doi: 10.1063/1.2429659. J Chem Phys. 2007. PMID: 17302484

9

Energy landscapes for diffusion: analysis of cage-breaking processes.

de Souza VK, Wales DJ. de Souza VK, et al. Among authors: wales dj. J Chem Phys. 2008 Oct 28;129(16):164507. doi: 10.1063/1.2992128. J Chem Phys. 2008. PMID: 19045284

10

Refined kinetic transition networks for the GB1 hairpin peptide.

Carr JM, Wales DJ. Carr JM, et al. Among authors: wales dj. Phys Chem Chem Phys. 2009 May 14;11(18):3341-54. doi: 10.1039/b820649j. Epub 2009 Mar 17. Phys Chem Chem Phys. 2009. PMID: 19421536

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