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Theoretical Study of the Structure and Electronic Properties of Si3On(-) and Si6On(-) (n = 1-6) Clusters. Fragmentation and Formation Patterns.

Journal of chemical theory and computation

Tiznado W, Oña OB, Caputo MC, Ferraro MB, Fuentealba P.
PMID: 26616613
J Chem Theory Comput. 2009 Sep 08;5(9):2265-73. doi: 10.1021/ct900320r.

A theoretical study of two series of small clusters, Si3On(-) and Si6On(-) (n = 1-6), has been carried out. The minimum energy structures were produced adding an electron to neutral species followed by relaxation at the B3LYP-6-311G(2d) level. The...

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Tiznado W, Oña OB, Caputo MC, et al. Theoretical Study of the Structure and Electronic Properties of Si3On(-) and Si6On(-) (n = 1-6) Clusters. Fragmentation and Formation Patterns. J Chem Theory Comput. 2009;5(9):2265-73doi: 10.1021/ct900320r.
Tiznado, W., Oña, O. B., Caputo, M. C., Ferraro, M. B., & Fuentealba, P. (2009). Theoretical Study of the Structure and Electronic Properties of Si3On(-) and Si6On(-) (n = 1-6) Clusters. Fragmentation and Formation Patterns. Journal of chemical theory and computation, 5(9), 2265-73. https://doi.org/10.1021/ct900320r
Tiznado, William, et al. "Theoretical Study of the Structure and Electronic Properties of Si3On(-) and Si6On(-) (n = 1-6) Clusters. Fragmentation and Formation Patterns." Journal of chemical theory and computation vol. 5,9 (2009): 2265-73. doi: https://doi.org/10.1021/ct900320r
Tiznado W, Oña OB, Caputo MC, Ferraro MB, Fuentealba P. Theoretical Study of the Structure and Electronic Properties of Si3On(-) and Si6On(-) (n = 1-6) Clusters. Fragmentation and Formation Patterns. J Chem Theory Comput. 2009 Sep 08;5(9):2265-73. doi: 10.1021/ct900320r. PMID: 26616613.
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Hydrofluoric-acid-resistant and hydrophobic pure-silica-zeolite MEL low-dielectric-constant films.

Langmuir : the ACS journal of surfaces and colloids

Lew CM, Liu Y, Day B, Kloster GM, Tiznado H, Sun M, Zaera F, Wang J, Yan Y.
PMID: 19344154
Langmuir. 2009 May 05;25(9):5039-44. doi: 10.1021/la803956w.

A new technique for the silylation of pure-silica-zeolite MEL low-k films has been developed in which the spin-on films are calcined directly in trimethylchlorosilane or 1,1,1,3,3,3-hexamethyldisilazane (HMDS) in order to protect the films against corrosive wet etch chemicals and...

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Lew CM, Liu Y, Day B, et al. Hydrofluoric-acid-resistant and hydrophobic pure-silica-zeolite MEL low-dielectric-constant films. Langmuir. 2009;25(9):5039-44doi: 10.1021/la803956w.
Lew, C. M., Liu, Y., Day, B., Kloster, G. M., Tiznado, H., Sun, M., Zaera, F., Wang, J., & Yan, Y. (2009). Hydrofluoric-acid-resistant and hydrophobic pure-silica-zeolite MEL low-dielectric-constant films. Langmuir : the ACS journal of surfaces and colloids, 25(9), 5039-44. https://doi.org/10.1021/la803956w
Lew, Christopher M, et al. "Hydrofluoric-acid-resistant and hydrophobic pure-silica-zeolite MEL low-dielectric-constant films." Langmuir : the ACS journal of surfaces and colloids vol. 25,9 (2009): 5039-44. doi: https://doi.org/10.1021/la803956w
Lew CM, Liu Y, Day B, Kloster GM, Tiznado H, Sun M, Zaera F, Wang J, Yan Y. Hydrofluoric-acid-resistant and hydrophobic pure-silica-zeolite MEL low-dielectric-constant films. Langmuir. 2009 May 05;25(9):5039-44. doi: 10.1021/la803956w. PMID: 19344154.
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E.

Chemistry, an Asian journal

Vásquez-Espinal A, Palacio-Rodríguez K, Ravell E, Orozco-Ic M, Barroso J, Pan S, Tiznado W, Merino G.
PMID: 29920953
Chem Asian J. 2018 Jul 04;13(13):1751-1755. doi: 10.1002/asia.201800654. Epub 2018 Jun 19.

Herein we report the systematic exploration of the potential energy surfaces of a series of clusters with formula E

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Vásquez-Espinal A, Palacio-Rodríguez K, Ravell E, et al. E. Chem Asian J. 2018;13(13):1751-1755doi: 10.1002/asia.201800654.
Vásquez-Espinal, A., Palacio-Rodríguez, K., Ravell, E., Orozco-Ic, M., Barroso, J., Pan, S., Tiznado, W., & Merino, G. (2018). E. Chemistry, an Asian journal, 13(13), 1751-1755. https://doi.org/10.1002/asia.201800654
Vásquez-Espinal, Alejandro, et al. "E." Chemistry, an Asian journal vol. 13,13 (2018): 1751-1755. doi: https://doi.org/10.1002/asia.201800654
Vásquez-Espinal A, Palacio-Rodríguez K, Ravell E, Orozco-Ic M, Barroso J, Pan S, Tiznado W, Merino G. E. Chem Asian J. 2018 Jul 04;13(13):1751-1755. doi: 10.1002/asia.201800654. Epub 2018 Jun 19. PMID: 29920953.
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A Fukui function-guided genetic algorithm. Assessment on structural prediction of Si.

Journal of computational chemistry

Yañez O, Vásquez-Espinal A, Inostroza D, Ruiz L, Pino-Rios R, Tiznado W.
PMID: 28436608
J Comput Chem. 2017 Jul 15;38(19):1668-1677. doi: 10.1002/jcc.24810. Epub 2017 Apr 24.

Theoretical studies are essential for the structural characterization of clusters, when it comes to rationalize their unique size-dependent properties and composition. However, the rapid growth of local minima on the potential energy surface (PES), with respect to cluster size,...

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Yañez O, Vásquez-Espinal A, Inostroza D, et al. A Fukui function-guided genetic algorithm. Assessment on structural prediction of Si. J Comput Chem. 2017;38(19):1668-1677doi: 10.1002/jcc.24810.
Yañez, O., Vásquez-Espinal, A., Inostroza, D., Ruiz, L., Pino-Rios, R., & Tiznado, W. (2017). A Fukui function-guided genetic algorithm. Assessment on structural prediction of Si. Journal of computational chemistry, 38(19), 1668-1677. https://doi.org/10.1002/jcc.24810
Yañez, Osvaldo, et al. "A Fukui function-guided genetic algorithm. Assessment on structural prediction of Si." Journal of computational chemistry vol. 38,19 (2017): 1668-1677. doi: https://doi.org/10.1002/jcc.24810
Yañez O, Vásquez-Espinal A, Inostroza D, Ruiz L, Pino-Rios R, Tiznado W. A Fukui function-guided genetic algorithm. Assessment on structural prediction of Si. J Comput Chem. 2017 Jul 15;38(19):1668-1677. doi: 10.1002/jcc.24810. Epub 2017 Apr 24. PMID: 28436608.
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Metabolic Profiling of Water-Soluble Compounds from the Extracts of Dark Septate Endophytic Fungi (DSE) Isolated from Scots Pine (.

Molecules (Basel, Switzerland)

Tienaho J, Karonen M, Muilu-Mäkelä R, Wähälä K, Leon Denegri E, Franzén R, Karp M, Santala V, Sarjala T.
PMID: 31242564
Molecules. 2019 Jun 25;24(12). doi: 10.3390/molecules24122330.

Endophytes are microorganisms living inside plant hosts and are known to be beneficial for the host plant vitality. In this study, we isolated three endophytic fungus species from the roots of Scots pine seedlings growing on Finnish drained peatland...

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Tienaho J, Karonen M, Muilu-Mäkelä R, et al. Metabolic Profiling of Water-Soluble Compounds from the Extracts of Dark Septate Endophytic Fungi (DSE) Isolated from Scots Pine (. Molecules. 2019;24(12)doi: 10.3390/molecules24122330.
Tienaho, J., Karonen, M., Muilu-Mäkelä, R., Wähälä, K., Leon Denegri, E., Franzén, R., Karp, M., Santala, V., & Sarjala, T. (2019). Metabolic Profiling of Water-Soluble Compounds from the Extracts of Dark Septate Endophytic Fungi (DSE) Isolated from Scots Pine (. Molecules (Basel, Switzerland), 24(12), . https://doi.org/10.3390/molecules24122330
Tienaho, Jenni, et al. "Metabolic Profiling of Water-Soluble Compounds from the Extracts of Dark Septate Endophytic Fungi (DSE) Isolated from Scots Pine (." Molecules (Basel, Switzerland) vol. 24,12 (2019). doi: https://doi.org/10.3390/molecules24122330
Tienaho J, Karonen M, Muilu-Mäkelä R, Wähälä K, Leon Denegri E, Franzén R, Karp M, Santala V, Sarjala T. Metabolic Profiling of Water-Soluble Compounds from the Extracts of Dark Septate Endophytic Fungi (DSE) Isolated from Scots Pine (. Molecules. 2019 Jun 25;24(12). doi: 10.3390/molecules24122330. PMID: 31242564; PMCID: PMC6630819.
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Cross-cultural adaptation of the SCORE survey and evaluation of the impact of Real-Time Random Safety Audits in organizational culture: A multicenter study.

Medicina intensiva

Sirgo G, Olona M, Martín-Delgado MC, Gordo F, Trenado J, García M, Bodí M.
PMID: 34052044
Med Intensiva (Engl Ed). 2021 May 26; doi: 10.1016/j.medin.2021.03.015. Epub 2021 May 26.

OBJECTIVE: To establish a cross-cultural adaptation of the Safety, Communication, Operational Reliability, and Engagement (SCORE) survey and to use this instrument to evaluate the impact of a safety intervention.DESIGN: Cross-cultural adaptation and before-and-after evaluation study.SETTING: 5 ICU.PARTICIPANTS: Medical residents,...

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Sirgo G, Olona M, Martín-Delgado MC, et al. Cross-cultural adaptation of the SCORE survey and evaluation of the impact of Real-Time Random Safety Audits in organizational culture: A multicenter study. Med Intensiva (Engl Ed). 2021;doi: 10.1016/j.medin.2021.03.015.
Sirgo, G., Olona, M., Martín-Delgado, M. C., Gordo, F., Trenado, J., García, M., & Bodí, M. (2021). Cross-cultural adaptation of the SCORE survey and evaluation of the impact of Real-Time Random Safety Audits in organizational culture: A multicenter study. Medicina intensiva, . https://doi.org/10.1016/j.medin.2021.03.015
Sirgo, G, et al. "Cross-cultural adaptation of the SCORE survey and evaluation of the impact of Real-Time Random Safety Audits in organizational culture: A multicenter study." Medicina intensiva vol. (2021). doi: https://doi.org/10.1016/j.medin.2021.03.015
Sirgo G, Olona M, Martín-Delgado MC, Gordo F, Trenado J, García M, Bodí M. Cross-cultural adaptation of the SCORE survey and evaluation of the impact of Real-Time Random Safety Audits in organizational culture: A multicenter study. Med Intensiva (Engl Ed). 2021 May 26; doi: 10.1016/j.medin.2021.03.015. Epub 2021 May 26. Spanish. PMID: 34052044.
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Local and macrocyclic (anti)aromaticity of porphyrinoids revealed by the topology of the induced magnetic field.

Physical chemistry chemical physics : PCCP

Pino-Rios R, Cárdenas-Jirón G, Tiznado W.
PMID: 32935691
Phys Chem Chem Phys. 2020 Sep 30;22(37):21267-21274. doi: 10.1039/d0cp03272g.

The aromaticity in porphyrinoids results from the π conjugation through two different annular perimeters: the macrocyclic ring and the local heterocyclic rings appended to it. Analyses, based on aromatic stabilization energies (ASE), indicate that the local circuits (6π) are...

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Pino-Rios R, Cárdenas-Jirón G, Tiznado W. Local and macrocyclic (anti)aromaticity of porphyrinoids revealed by the topology of the induced magnetic field. Phys Chem Chem Phys. 2020;22(37):21267-21274doi: 10.1039/d0cp03272g.
Pino-Rios, R., Cárdenas-Jirón, G., & Tiznado, W. (2020). Local and macrocyclic (anti)aromaticity of porphyrinoids revealed by the topology of the induced magnetic field. Physical chemistry chemical physics : PCCP, 22(37), 21267-21274. https://doi.org/10.1039/d0cp03272g
Pino-Rios, Ricardo, et al. "Local and macrocyclic (anti)aromaticity of porphyrinoids revealed by the topology of the induced magnetic field." Physical chemistry chemical physics : PCCP vol. 22,37 (2020): 21267-21274. doi: https://doi.org/10.1039/d0cp03272g
Pino-Rios R, Cárdenas-Jirón G, Tiznado W. Local and macrocyclic (anti)aromaticity of porphyrinoids revealed by the topology of the induced magnetic field. Phys Chem Chem Phys. 2020 Sep 30;22(37):21267-21274. doi: 10.1039/d0cp03272g. PMID: 32935691.
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Understanding the first half-ALD cycle of the ZnO growth on hydroxyl functionalized carbon nanotubes.

Physical chemistry chemical physics : PCCP

Guerrero-Sánchez J, Borbon-Nunez HA, Tiznado H, Takeuchi N.
PMID: 32409803
Phys Chem Chem Phys. 2020 Jul 21;22(27):15333-15339. doi: 10.1039/d0cp00817f. Epub 2020 May 15.

We report the adsorption of diethylzinc on hydroxyl functionalized carbon nanotubes. This study intends to understand, at the atomic level, the initial stages of ZnO formation by atomic layer deposition. Our study begins with the molecule physisorbed on the...

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Guerrero-Sánchez J, Borbon-Nunez HA, Tiznado H, et al. Understanding the first half-ALD cycle of the ZnO growth on hydroxyl functionalized carbon nanotubes. Phys Chem Chem Phys. 2020;22(27):15333-15339doi: 10.1039/d0cp00817f.
Guerrero-Sánchez, J., Borbon-Nunez, H. A., Tiznado, H., & Takeuchi, N. (2020). Understanding the first half-ALD cycle of the ZnO growth on hydroxyl functionalized carbon nanotubes. Physical chemistry chemical physics : PCCP, 22(27), 15333-15339. https://doi.org/10.1039/d0cp00817f
Guerrero-Sánchez, J, et al. "Understanding the first half-ALD cycle of the ZnO growth on hydroxyl functionalized carbon nanotubes." Physical chemistry chemical physics : PCCP vol. 22,27 (2020): 15333-15339. doi: https://doi.org/10.1039/d0cp00817f
Guerrero-Sánchez J, Borbon-Nunez HA, Tiznado H, Takeuchi N. Understanding the first half-ALD cycle of the ZnO growth on hydroxyl functionalized carbon nanotubes. Phys Chem Chem Phys. 2020 Jul 21;22(27):15333-15339. doi: 10.1039/d0cp00817f. Epub 2020 May 15. PMID: 32409803.
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Small-angle neutron polarimetry apparatus (SANPA): Development at the NIST Center for Neutron Research.

The Review of scientific instruments

Tosado J, Chen WC, Gnewuch S, Hasaan T, Dax T, Rodriguez EE.
PMID: 31254983
Rev Sci Instrum. 2019 Jun;90(6):063303. doi: 10.1063/1.5091110.

Spherical neutron polarimetry directly measures the rotation of the neutron polarization after scattering from materials with magnetic structure. It is an under utilized measurement technique that is capable of measuring all nine elements of the polarization tensor of a...

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Tosado J, Chen WC, Gnewuch S, et al. Small-angle neutron polarimetry apparatus (SANPA): Development at the NIST Center for Neutron Research. Rev Sci Instrum. 2019;90(6):063303doi: 10.1063/1.5091110.
Tosado, J., Chen, W. C., Gnewuch, S., Hasaan, T., Dax, T., & Rodriguez, E. E. (2019). Small-angle neutron polarimetry apparatus (SANPA): Development at the NIST Center for Neutron Research. The Review of scientific instruments, 90(6), 063303. https://doi.org/10.1063/1.5091110
Tosado, J, et al. "Small-angle neutron polarimetry apparatus (SANPA): Development at the NIST Center for Neutron Research." The Review of scientific instruments vol. 90,6 (2019): 063303. doi: https://doi.org/10.1063/1.5091110
Tosado J, Chen WC, Gnewuch S, Hasaan T, Dax T, Rodriguez EE. Small-angle neutron polarimetry apparatus (SANPA): Development at the NIST Center for Neutron Research. Rev Sci Instrum. 2019 Jun;90(6):063303. doi: 10.1063/1.5091110. PMID: 31254983; PMCID: PMC7137085.
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Neither too Classic nor too Exotic: One-Electron Na⋅B Bond in NaBH.

Angewandte Chemie (International ed. in English)

Pino-Rios R, Inostroza D, Tiznado W.
PMID: 33876517
Angew Chem Int Ed Engl. 2021 Jun 01;60(23):12747-12753. doi: 10.1002/anie.202101403. Epub 2021 May 01.

It is here reported that the NaBH

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Pino-Rios R, Inostroza D, Tiznado W. Neither too Classic nor too Exotic: One-Electron Na⋅B Bond in NaBH. Angew Chem Int Ed Engl. 2021;60(23):12747-12753doi: 10.1002/anie.202101403.
Pino-Rios, R., Inostroza, D., & Tiznado, W. (2021). Neither too Classic nor too Exotic: One-Electron Na⋅B Bond in NaBH. Angewandte Chemie (International ed. in English), 60(23), 12747-12753. https://doi.org/10.1002/anie.202101403
Pino-Rios, Ricardo, et al. "Neither too Classic nor too Exotic: One-Electron Na⋅B Bond in NaBH." Angewandte Chemie (International ed. in English) vol. 60,23 (2021): 12747-12753. doi: https://doi.org/10.1002/anie.202101403
Pino-Rios R, Inostroza D, Tiznado W. Neither too Classic nor too Exotic: One-Electron Na⋅B Bond in NaBH. Angew Chem Int Ed Engl. 2021 Jun 01;60(23):12747-12753. doi: 10.1002/anie.202101403. Epub 2021 May 01. PMID: 33876517.
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Refractive index of ZnO ultrathin films alternated with Al.

Nanotechnology

López-Medina J, Carvalho WOF, Vazquez-Arce J, Moncada-Villa E, Oliveira ON, Farías MH, Tiznado H, Mejía-Salazar JR.
PMID: 33025922
Nanotechnology. 2020 Dec 11;31(50):505715. doi: 10.1088/1361-6528/abb42f.

The design of optoelectronic devices made with ZnO superlattices requires the knowledge of the refractive index, which currently can be done only for films thicker than 30 nm. In this work, we present an effective medium approach to determine...

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López-Medina J, Carvalho WOF, Vazquez-Arce J, et al. Refractive index of ZnO ultrathin films alternated with Al. Nanotechnology. 2020;31(50):505715doi: 10.1088/1361-6528/abb42f.
López-Medina, J., Carvalho, W. O. F., Vazquez-Arce, J., Moncada-Villa, E., Oliveira, O. N., Farías, M. H., Tiznado, H., & Mejía-Salazar, J. R. (2020). Refractive index of ZnO ultrathin films alternated with Al. Nanotechnology, 31(50), 505715. https://doi.org/10.1088/1361-6528/abb42f
López-Medina, J, et al. "Refractive index of ZnO ultrathin films alternated with Al." Nanotechnology vol. 31,50 (2020): 505715. doi: https://doi.org/10.1088/1361-6528/abb42f
López-Medina J, Carvalho WOF, Vazquez-Arce J, Moncada-Villa E, Oliveira ON, Farías MH, Tiznado H, Mejía-Salazar JR. Refractive index of ZnO ultrathin films alternated with Al. Nanotechnology. 2020 Dec 11;31(50):505715. doi: 10.1088/1361-6528/abb42f. PMID: 33025922.
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Relativistic effects on the aromaticity of E.

Physical chemistry chemical physics : PCCP

Pino-Rios R, Vásquez-Espinal A, Alvarez-Thon L, Tiznado W.
PMID: 33030178
Phys Chem Chem Phys. 2020 Oct 21;22(40):22973-22978. doi: 10.1039/d0cp04446f.

The relativistic effects on the aromaticity of a set of benzene analogues, E3M3H3 (E = C-Pb; M = N-Bi) heterocycles, using magnetically induced current density (MICD) and the NICSzz component of the conventional nucleus independent chemical shift (NICS), is...

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Pino-Rios R, Vásquez-Espinal A, Alvarez-Thon L, et al. Relativistic effects on the aromaticity of E. Phys Chem Chem Phys. 2020;22(40):22973-22978doi: 10.1039/d0cp04446f.
Pino-Rios, R., Vásquez-Espinal, A., Alvarez-Thon, L., & Tiznado, W. (2020). Relativistic effects on the aromaticity of E. Physical chemistry chemical physics : PCCP, 22(40), 22973-22978. https://doi.org/10.1039/d0cp04446f
Pino-Rios, Ricardo, et al. "Relativistic effects on the aromaticity of E." Physical chemistry chemical physics : PCCP vol. 22,40 (2020): 22973-22978. doi: https://doi.org/10.1039/d0cp04446f
Pino-Rios R, Vásquez-Espinal A, Alvarez-Thon L, Tiznado W. Relativistic effects on the aromaticity of E. Phys Chem Chem Phys. 2020 Oct 21;22(40):22973-22978. doi: 10.1039/d0cp04446f. PMID: 33030178.
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Showing 1 to 12 of 87 entries