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Plasmonic Nanorattles as Next-Generation Catalysts for Surface Plasmon Resonance-Mediated Oxidations Promoted by Activated Oxygen

Angewandte Chemie (International ed.), 2016-06, Vol.55 (25), p.7111-7115

International ed. in English, 2016

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Quasiclassical Trajectory Calculations of the Rate Constant of the OH + HBr → Br + H2O Reaction Using a Full-Dimensional Ab Initio Potential Energy Surface Over the Temperature Range 5 to 500 K

The journal of physical chemistry letters, 2014-02, Vol.5 (4), p.706-712

2014

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Optical Pumping of TeH+: Implications for the Search for Varying mp/me

Atoms, 2018-09, Vol.6 (3), p.53

2018

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Energy Disposal and Thermal Rate Constants for the OH + HBr and OH + DBr Reactions: Quasiclassical Trajectory Calculations on an Accurate Potential Energy Surface

The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory, 2014-12, Vol.118 (51), p.12080-12088

2014

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Exploring the electronic states of the hydroxyl dication OH2+: thermodynamic (meta)stability, bound-free emission spectra, and charge transfer processes

Physical chemistry chemical physics : PCCP, 2021-06, Vol.23 (24), p.13672-13679

2021

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The electronic states of TeH(+): a theoretical contribution

The Journal of chemical physics, 2015-01, Vol.142 (2), p.024316-024316

2015

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Thermodynamically stable diatomic dications: The cases of SrO2+ and SrH2

The Journal of chemical physics, 2018-03, Vol.148 (12), p.124306-124306

2018

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Triangular metal nanoprisms of Ag, Au, and Cu: Modeling the influence of size, composition, and excitation wavelength on the optical properties

Chemical physics, 2013-09, Vol.423, p.142-150

2013

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On the optical properties of copper nanocubes as a function of the edge length as modeled by the discrete dipole approximation

Chemical physics letters, 2012-08, Vol.544, p.64-69

2012

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Characterizing structures, energetics, and spectra of species on the 1,3[H, C, As] potential energy surfaces: A high-level theoretical contribution

Spectrochimica acta. Part A, Molecular and biomolecular spectroscopy, 2020-02, Vol.226, p.117578, Article 117578

2020

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The Fault in Their Shapes: Investigating the Surface-Plasmon-Resonance-Mediated Catalytic Activities of Silver Quasi-Spheres, Cubes, Triangular Prisms, and Wires

Langmuir, 2015-09, Vol.31 (37), p.10272-10278

2015

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Theoretical Characterization of Hydrogen Polyoxides: HOOH, HOOOH, HOOOOH, and HOOO

The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory, 2009-01, Vol.113 (2), p.499-506

2009

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CASSCF and MRMP2 investigation of the interaction of arsenic adatoms with carbon dimers on the diamond (100)-2×1 surface

Surface science, 2015-11, Vol.641, p.159-165

2015

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Radical SBr: A challenge to spectroscopists?

The Journal of chemical physics, 2006-09, Vol.125 (11), p.114314-114314-7

Ornellas, Fernando R.

2006

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Thermochemistry of new molecular species: SBr and HSBr

The Journal of chemical physics, 2007-05, Vol.126 (20), p.204314-204314-4

Ornellas, Fernando R.

2007

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Silanol-Assisted Carbinolamine Formation in an Amine-Functionalized Mesoporous Silica Surface: Theoretical Investigation by Fragmentation Methods

The journal of physical chemistry. B, 2016-03, Vol.120 (8), p.1660-1669

2016

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Calcium-containing diatomic dications in the gas phase

Physical chemistry chemical physics : PCCP, 2011-11, Vol.13 (41), p.18297-18306

2011

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1011 POSTER Survival of Mice With Erhlich Ascitic Tumour Treated With Ultra-dilutions

European journal of cancer (1990), 2011, Vol.47, p.S100-S100

2011

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The electronic states of SeF: A reinterpretation of the chemiluminescent emission of the reaction of selenium with fluorine

The Journal of chemical physics, 2010-05, Vol.132 (19), p.194316-194316-6

2010

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The low-lying electronic states of BeP: a reliable and accurate quantum mechanical prediction

Journal of physics. B, Atomic, molecular, and optical physics, 2009-09, Vol.42 (18), p.185102-185102 (7)

Ornellas, Fernando R

2009

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Theoretical Design and Experimental Realization of Quasi Single Electron Enhancement in Plasmonic Catalysis

Angewandte Chemie (International ed.), 2015-11, Vol.54 (48), p.14427-14431

International ed. in English, 2015

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The search for a potentially new molecular species, SiAs: A theoretical contribution

Molecular physics, 2012-12, Vol.110 (24), p.3085-3094

2012

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Exploring new species on the [H, S, Se, Cl] potential energy surface

International journal of quantum chemistry, 2013-01, Vol.113 (2), p.112-118

2013

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The surprising metastability of TeH2

The Journal of chemical physics, 2013-06, Vol.138 (22), p.224309-224309

2013

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Thermochemistry of atmospheric sulfur compounds

Chemical physics letters, 2003-01, Vol.367 (3), p.489-494

2003

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Plasmonic Nanorattles as Next-Generation Catalysts for Surface Plasmon Resonance-Mediated Oxidations Promoted by Activated Oxygen

Quasiclassical Trajectory Calculations of the Rate Constant of the OH + HBr → Br + H2O Reaction Using a Full-Dimensional Ab Initio Potential Energy Surface Over the Temperature Range 5 to 500 K

Optical Pumping of TeH+: Implications for the Search for Varying mp/me

Energy Disposal and Thermal Rate Constants for the OH + HBr and OH + DBr Reactions: Quasiclassical Trajectory Calculations on an Accurate Potential Energy Surface

Exploring the electronic states of the hydroxyl dication OH2+: thermodynamic (meta)stability, bound-free emission spectra, and charge transfer processes

The electronic states of TeH(+): a theoretical contribution

Thermodynamically stable diatomic dications: The cases of SrO2+ and SrH2

Triangular metal nanoprisms of Ag, Au, and Cu: Modeling the influence of size, composition, and excitation wavelength on the optical properties

On the optical properties of copper nanocubes as a function of the edge length as modeled by the discrete dipole approximation

Characterizing structures, energetics, and spectra of species on the 1,3[H, C, As] potential energy surfaces: A high-level theoretical contribution

The Fault in Their Shapes: Investigating the Surface-Plasmon-Resonance-Mediated Catalytic Activities of Silver Quasi-Spheres, Cubes, Triangular Prisms, and Wires

Theoretical Characterization of Hydrogen Polyoxides: HOOH, HOOOH, HOOOOH, and HOOO

CASSCF and MRMP2 investigation of the interaction of arsenic adatoms with carbon dimers on the diamond (100)-2×1 surface

Radical SBr: A challenge to spectroscopists?

Thermochemistry of new molecular species: SBr and HSBr

Silanol-Assisted Carbinolamine Formation in an Amine-Functionalized Mesoporous Silica Surface: Theoretical Investigation by Fragmentation Methods

Calcium-containing diatomic dications in the gas phase

1011 POSTER Survival of Mice With Erhlich Ascitic Tumour Treated With Ultra-dilutions

The electronic states of SeF: A reinterpretation of the chemiluminescent emission of the reaction of selenium with fluorine

The low-lying electronic states of BeP: a reliable and accurate quantum mechanical prediction

Theoretical Design and Experimental Realization of Quasi Single Electron Enhancement in Plasmonic Catalysis

The search for a potentially new molecular species, SiAs: A theoretical contribution

Exploring new species on the [H, S, Se, Cl] potential energy surface

The surprising metastability of TeH2

Thermochemistry of atmospheric sulfur compounds

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