Douglas-Gallardo OA - Search Results

1

NQCDynamics.jl: A Julia package for nonadiabatic quantum classical molecular dynamics in the condensed phase.

Gardner J, Douglas-Gallardo OA, Stark WG, Westermayr J, Janke SM, Habershon S, Maurer RJ. Gardner J, et al. Among authors: douglas gallardo oa. J Chem Phys. 2022 May 7;156(17):174801. doi: 10.1063/5.0089436. J Chem Phys. 2022. PMID: 35525649

2

Plasmonic enhancement of molecular hydrogen dissociation on metallic magnesium nanoclusters.

Douglas-Gallardo OA, Box CL, Maurer RJ. Douglas-Gallardo OA, et al. Nanoscale. 2021 Jul 1;13(25):11058-11068. doi: 10.1039/d1nr02033a. Nanoscale. 2021. PMID: 34152348

3

Communication: Photoinduced carbon dioxide binding with surface-functionalized silicon quantum dots.

Douglas-Gallardo OA, Sánchez CG, Vöhringer-Martinez E. Douglas-Gallardo OA, et al. J Chem Phys. 2018 Apr 14;148(14):141102. doi: 10.1063/1.5027492. J Chem Phys. 2018. PMID: 29655322

4

Effects of oxidation on the plasmonic properties of aluminum nanoclusters.

Douglas-Gallardo OA, Soldano GJ, Mariscal MM, Sánchez CG. Douglas-Gallardo OA, et al. Nanoscale. 2017 Nov 16;9(44):17471-17480. doi: 10.1039/c7nr04904h. Nanoscale. 2017. PMID: 29106431

5

Plasmon-induced hot-carrier generation differences in gold and silver nanoclusters.

Douglas-Gallardo OA , Berdakin M , Frauenheim T , Sánchez CG . Douglas-Gallardo OA , et al. Nanoscale. 2019 Apr 25;11(17):8604-8615. doi: 10.1039/c9nr01352k. Nanoscale. 2019. PMID: 30994677

6

Electronic structure benchmark calculations of inorganic and biochemical carboxylation reactions.

Douglas-Gallardo OA, Saez DA, Vogt-Geisse S, Vöhringer-Martinez E. Douglas-Gallardo OA, et al. J Comput Chem. 2019 May 15;40(13):1401-1413. doi: 10.1002/jcc.25795. Epub 2019 Feb 16. J Comput Chem. 2019. PMID: 30770583

7

Electronic structure benchmark calculations of CO₂ fixing elementary chemical steps in RuBisCO using the projector-based embedding approach.

Douglas-Gallardo OA, Shepherd I, Bennie SJ, Ranaghan KE, Mulholland AJ, Vöhringer-Martinez E. Douglas-Gallardo OA, et al. J Comput Chem. 2020 Sep 15;41(24):2151-2157. doi: 10.1002/jcc.26380. Epub 2020 Jul 8. J Comput Chem. 2020. PMID: 32640497

8

Plasmon-driven sub-picosecond breathing of metal nanoparticles.

Bonafé FP, Aradi B, Guan M, Douglas-Gallardo OA, Lian C, Meng S, Frauenheim T, Sánchez CG. Bonafé FP, et al. Nanoscale. 2017 Aug 31;9(34):12391-12397. doi: 10.1039/c7nr04536k. Nanoscale. 2017. PMID: 28829098

9

One-step/one-pot decoration of oxide microparticles with silver nanoparticles.

Macchione MA, Douglas-Gallardo OA, Pérez LA, Passarelli N, Moiraghi R, Spitale A, Bahena D, Oliva FY, Mariscal MM, José-Yacamán M, Coronado EA, Macagno VA, Pérez MA. Macchione MA, et al. J Colloid Interface Sci. 2014 Aug 15;428:32-5. doi: 10.1016/j.jcis.2014.04.039. Epub 2014 Apr 28. J Colloid Interface Sci. 2014. PMID: 24910031

10

Morphological Evolution of Noble Metal Nanoparticles in Chloroform: Mechanism of Switching on/off by Protic Species.

Douglas-Gallardo OA, Gomez CG, Macchione MA, Cometto FP, Coronado EA, Macagno VA, Pérez MA. Douglas-Gallardo OA, et al. RSC Adv. 2015;5(122):100488-100497. doi: 10.1039/C5RA17529A. RSC Adv. 2015. PMID: 26889378 Free PMC article.

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