Plasmonic Nanorattles as Next-Generation Catalysts for Surface Plasmon Resonance-Mediated Oxidations Promoted by Activated Oxygen von da Silva, Anderson G. M., Rodrigues, Thenner S., Correia, Valquírio G., Alves, Tiago V., Alves, Rafael S., Ando, Rômulo A., Ornellas, Fernando R., Wang, Jiale, Andrade, Leandro H., Camargo, Pedro H. C.

Volltext

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 Ran... von de Oliveira-Filho, Antonio G. S, Ornellas, Fernando R, Bowman, Joel M

Volltext

Energy Disposal and Thermal Rate Constants for the OH + HBr and OH + DBr Reactions: Quasiclassical Trajectory Calculations on an Accurate Potential Energy Surface von de Oliveira-Filho, Antonio G. S, Ornellas, Fernando R, Bowman, Joel M

Volltext

Optical Pumping of TeH+: Implications for the Search for Varying mp/me von Stollenwerk, Patrick, Kokish, Mark, de Oliveira-Filho, Antonio, Ornellas, Fernando, Odom, Brian

Volltext

Exploring the electronic states of the hydroxyl dication OH2+: thermodynamic (meta)stability, bound-free emission spectra, and charge transfer processes von de Melo, Gabriel Fernando, Franzreb, Klaus, Ornellas, Fernando R

Volltext

The electronic states of TeH(+): a theoretical contribution von Gonçalves dos Santos, Levi, de Oliveira-Filho, Antonio Gustavo S, Ornellas, Fernando R

Volltext

Thermodynamically stable diatomic dications: The cases of SrO2+ and SrH2 von Gonçalves dos Santos, Levi, Franzreb, Klaus, Ornellas, Fernando R.

Volltext

Exploring the electronic states of iodocarbyne: a theoretical contribution von Alves, Tiago Vinicius, Ornellas, Fernando R

Volltext

Characterizing structures, energetics, and spectra of species on the 1,3[H, C, As] potential energy surfaces: A high-level theoretical contribution von Menezes da Silva, Vitor H., Ornellas, Fernando R.

Volltext

The Fault in Their Shapes: Investigating the Surface-Plasmon-Resonance-Mediated Catalytic Activities of Silver Quasi-Spheres, Cubes, Triangular Prisms, and Wires von da Silva, Anderson G. M, Rodrigues, Thenner S, Wang, Jiale, Yamada, Liliam K, Alves, Tiago V, Ornellas, Fernando R, Ando, Rômulo A, Camargo, Pedro H. C

Volltext

Theoretical Characterization of Hydrogen Polyoxides: HOOH, HOOOH, HOOOOH, and HOOO von Denis, Pablo A, Ornellas, Fernando R

Volltext

CASSCF and MRMP2 investigation of the interaction of arsenic adatoms with carbon dimers on the diamond (100)-2×1 surface von de Lima Batista, Ana Paula, Ornellas, Fernando R.

Volltext

Radical SBr: A challenge to spectroscopists? von Ornellas, Fernando R.

Volltext

Thermochemistry of new molecular species: SBr and HSBr von Ornellas, Fernando R.

Volltext

Silanol-Assisted Carbinolamine Formation in an Amine-Functionalized Mesoporous Silica Surface: Theoretical Investigation by Fragmentation Methods von de Lima Batista, Ana P, Zahariev, Federico, Slowing, Igor I, Braga, Ataualpa A. C, Ornellas, Fernando R, Gordon, Mark S

Volltext

Triangular metal nanoprisms of Ag, Au, and Cu: Modeling the influence of size, composition, and excitation wavelength on the optical properties von Hermoso, Willian, Alves, Tiago V., de Oliveira, Caio C.S., Moriya, Eduardo G., Ornellas, Fernando R., Camargo, Pedro H.C.

Volltext

Calcium-containing diatomic dications in the gas phase von Alves, Tiago Vinicius, Hermoso, Willian, Franzreb, Klaus, Ornellas, Fernando R

Volltext

The electronic states of SeF: A reinterpretation of the chemiluminescent emission of the reaction of selenium with fluorine von Hermoso, Willian, Ornellas, Fernando R.

Volltext

On the optical properties of copper nanocubes as a function of the edge length as modeled by the discrete dipole approximation von Alves, Tiago V., Hermoso, Willian, Ornellas, Fernando R., Camargo, Pedro H.C.

Volltext

The low-lying electronic states of BeP: a reliable and accurate quantum mechanical prediction von Ornellas, Fernando R

Volltext