Martínez JM - Search Results

1

How to model solvation of peptides? Insights from a quantum mechanical and molecular dynamics study of N-methylacetamide. 2. 15N and 17O nuclear shielding in water and in acetone.

Mennucci B, Martínez JM. Mennucci B, et al. Among authors: martinez jm. J Phys Chem B. 2005 May 19;109(19):9830-8. doi: 10.1021/jp050035r. J Phys Chem B. 2005. PMID: 16852183

2

How to model solvation of peptides? Insights from a quantum-mechanical and molecular dynamics study of N-methylacetamide. 1. Geometries, infrared, and ultraviolet spectra in water.

Mennucci B, Martínez JM. Mennucci B, et al. Among authors: martinez jm. J Phys Chem B. 2005 May 19;109(19):9818-29. doi: 10.1021/jp050034z. J Phys Chem B. 2005. PMID: 16852182

3

Combined experimental and theoretical approach to the study of structure and dynamics of the most inert aqua ion [Ir(H2O)6]3+ in aqueous solution.

Carrera F, Torrico F, Richens DT, Muñoz-Paez A, Martínez JM, Pappalardo RR, Marcos ES. Carrera F, et al. Among authors: martinez jm. J Phys Chem B. 2007 Jul 19;111(28):8223-33. doi: 10.1021/jp0713716. Epub 2007 Jun 21. J Phys Chem B. 2007. PMID: 17583938

4

Po(IV) hydration: a quantum chemical study.

Ayala R, Martinez JM, Pappalardo RR, Muñoz-Paez A, Marcos ES. Ayala R, et al. Among authors: martinez jm. J Phys Chem B. 2008 May 1;112(17):5416-22. doi: 10.1021/jp076032r. Epub 2008 Apr 9. J Phys Chem B. 2008. PMID: 18396916

5

An ab initio molecular dynamics study on the hydrolysis of the Po(IV) aquaion in water.

Ayala R, Spezia R, Vuilleumier R, Martínez JM, Pappalardo RR, Sánchez Marcos E. Ayala R, et al. Among authors: martinez jm. J Phys Chem B. 2010 Oct 14;114(40):12866-74. doi: 10.1021/jp1010956. J Phys Chem B. 2010. PMID: 20695470

6

General quantum-mechanical study on the hydrolysis equilibria for a tetravalent aquaion: the extreme case of the Po(IV) in water.

Ayala R, Martínez JM, Pappalardo RR, Muñoz Páez A, Sánchez Marcos E. Ayala R, et al. Among authors: martinez jm. J Phys Chem B. 2009 Jan 15;113(2):487-96. doi: 10.1021/jp804957s. J Phys Chem B. 2009. PMID: 19132860

7

Molecular dynamics simulations of Cu(II) and the PHGGGWGQ octapeptide.

Riihimäki ES, Martínez JM, Kloo L. Riihimäki ES, et al. Among authors: martinez jm. J Phys Chem B. 2007 Sep 6;111(35):10529-37. doi: 10.1021/jp072672i. Epub 2007 Aug 16. J Phys Chem B. 2007. PMID: 17696524

8

Effect of Basicity on the Hydrolysis of the Bi(III) Aqua Ion in Solution: An Ab Initio Molecular Dynamics Study.

Ayala R, Martínez JM, R Pappalardo R, Refson K, Sánchez Marcos E. Ayala R, et al. Among authors: martinez jm. J Phys Chem A. 2018 Feb 22;122(7):1905-1915. doi: 10.1021/acs.jpca.7b12402. Epub 2018 Feb 12. J Phys Chem A. 2018. PMID: 29376356 Free article.

9

The hydration structure of the heavy-alkalines Rb⁺ and Cs⁺ through molecular dynamics and X-ray absorption spectroscopy: surface clusters and eccentricity.

Caralampio DZ, Martínez JM, Pappalardo RR, Marcos ES. Caralampio DZ, et al. Among authors: martinez jm. Phys Chem Chem Phys. 2017 Nov 1;19(42):28993-29004. doi: 10.1039/c7cp05346k. Phys Chem Chem Phys. 2017. PMID: 29063078

10

Identifying Coordination Geometries of Metal Aquaions in Water: Application to the Case of Lanthanoid and Actinoid Hydrates.

Morales N, Galbis E, Martínez JM, Pappalardo RR, Sánchez Marcos E. Morales N, et al. Among authors: martinez jm. J Phys Chem Lett. 2016 Nov 3;7(21):4275-4280. doi: 10.1021/acs.jpclett.6b02067. Epub 2016 Oct 14. J Phys Chem Lett. 2016. PMID: 27732784

Save citations to file

Email citations

Send citations to clipboard

Add to Collections

Add to My Bibliography

Create a file for external citation management software

Your saved search

Your RSS Feed

My Custom Filters

Publication date

Text availability

Article attribute

Article type

Article Language

Species

Sex

Age

Other

768 results

Search Page

Filters