Ruiz Pestana L - Search Results

1

Use of the rVV10 Nonlocal Correlation Functional in the B97M-V Density Functional: Defining B97M-rV and Related Functionals.

Mardirossian N, Ruiz Pestana L, Womack JC, Skylaris CK, Head-Gordon T, Head-Gordon M. Mardirossian N, et al. Among authors: ruiz pestana l. J Phys Chem Lett. 2017 Jan 5;8(1):35-40. doi: 10.1021/acs.jpclett.6b02527. Epub 2016 Dec 12. J Phys Chem Lett. 2017. PMID: 27936759 Free article.

2

Ab initio molecular dynamics simulations of liquid water using high quality meta-GGA functionals.

Ruiz Pestana L, Mardirossian N, Head-Gordon M, Head-Gordon T. Ruiz Pestana L, et al. Chem Sci. 2017 May 1;8(5):3554-3565. doi: 10.1039/c6sc04711d. Epub 2017 Feb 27. Chem Sci. 2017. PMID: 30155200 Free PMC article.

3

The Quest for Accurate Liquid Water Properties from First Principles.

Ruiz Pestana L, Marsalek O, Markland TE, Head-Gordon T. Ruiz Pestana L, et al. J Phys Chem Lett. 2018 Sep 6;9(17):5009-5016. doi: 10.1021/acs.jpclett.8b02400. Epub 2018 Aug 21. J Phys Chem Lett. 2018. PMID: 30118601 Free article.

4

Evaporation of Water Nanodroplets on Heated Surfaces: Does Nano Matter?

Ruiz Pestana L, Head-Gordon T. Ruiz Pestana L, et al. ACS Nano. 2022 Mar 22;16(3):3563-3572. doi: 10.1021/acsnano.1c10244. Epub 2022 Feb 2. ACS Nano. 2022. PMID: 35107985 Free article.

5

Strong Anisotropy in Liquid Water upon Librational Excitation Using Terahertz Laser Fields.

Novelli F, Ruiz Pestana L, Bennett KC, Sebastiani F, Adams EM, Stavrias N, Ockelmann T, Colchero A, Hoberg C, Schwaab G, Head-Gordon T, Havenith M. Novelli F, et al. Among authors: ruiz pestana l. J Phys Chem B. 2020 Jun 18;124(24):4989-5001. doi: 10.1021/acs.jpcb.0c02448. Epub 2020 Jun 8. J Phys Chem B. 2020. PMID: 32450043

6

Coexistence of Multilayered Phases of Confined Water: The Importance of Flexible Confining Surfaces.

Ruiz Pestana L, Felberg LE, Head-Gordon T. Ruiz Pestana L, et al. ACS Nano. 2018 Jan 23;12(1):448-454. doi: 10.1021/acsnano.7b06805. Epub 2018 Jan 3. ACS Nano. 2018. PMID: 29236478 Free article.

7

Direct Exchange Mechanism for Interlayer Ions in Non-Swelling Clays.

Ruiz Pestana L, Kolluri K, Head-Gordon T, Lammers LN. Ruiz Pestana L, et al. Environ Sci Technol. 2017 Jan 3;51(1):393-400. doi: 10.1021/acs.est.6b04747. Epub 2016 Dec 20. Environ Sci Technol. 2017. PMID: 27997121 Free article.

8

A structural coarse-grained model for clays using simple iterative Boltzmann inversion.

Schaettle K, Ruiz Pestana L, Head-Gordon T, Lammers LN. Schaettle K, et al. Among authors: ruiz pestana l. J Chem Phys. 2018 Jun 14;148(22):222809. doi: 10.1063/1.5011817. J Chem Phys. 2018. PMID: 29907051 Free article.

9

The Effect of Surface Oxygen Coverage on the Oxygen Evolution Reaction over a CoFeNiCr High-Entropy Alloy.

Yuan G, Ruiz Pestana L. Yuan G, et al. Among authors: ruiz pestana l. Nanomaterials (Basel). 2024 Jun 19;14(12):1058. doi: 10.3390/nano14121058. Nanomaterials (Basel). 2024. PMID: 38921934 Free PMC article.

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