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Browsing College of Sciences and Mathematics by Author "Diaz-Tinoco, Manuel"

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Comment on "Are polynuclear superhalogens without halogen atoms probable? A high-level ab initio case study on triple-bridged binuclear anions with cyanide ligands" [J. Chem. Phys. 140, 094301 (2014)] 

Diaz-Tinoco, Manuel; Ortiz, J.V. (2020-04-17)

Double Rydberg anions with solvated ammonium kernels: Electron binding energies and Dyson orbitals 

Diaz-Tinoco, Manuel; Ortiz, J.V. (2020-03-10)
Ab initio electron-propagator calculations on the electron detachment energies and associated Dyson orbitals of NnH3n+1- for n = 1-5 confirm the assignment of low-energy peaks in anion photoelectron spectra to double Rydberg ...

A generalized any-particle propagator theory: Prediction of proton affinities and acidity properties with the proton propagator 

Diaz-Tinoco, Manuel; Romero, Jonathan; Ortiz, J. V.; Reyes, Andres; Flores-Moreno, Roberto; Ortiz, Joseph V. (2020-01-16)
We have recently extended the electron propagator theory to the treatment of any type of particle using an Any-Particle Molecular Orbital (APMO) wavefunction as reference state. This approach, called APMO/PT, has been ...