Molecular bond-breaking induced by interatomic decay processes

Autor: Ying-Chih Chiang, Selma Engin, Petra Votavová, Tsveta Miteva, Frank Otto, Přemysl Kolorenč, Nicolas Sisourat, Jiali Gao, Peng Bao

Publikováno v: Physical Review A
Physical Review A, American Physical Society 2019, 100 (5), ⟨10.1103/PhysRevA.100.052701⟩

Selective bond breaking in a molecule with the use of photons opens the way to control chemical reactions. We demonstrate here that dissociation of a molecule can be efficiently achieved by first photoexciting a neighboring atom or molecule. On the e

Externí odkaz: https://explore.openaire.eu/search/publication?articleId=doi_dedup___::255f1a0c4b51ca33674896eea21f6ef1
https://hal.sorbonne-universite.fr/hal-02407925

Full-dimensional theoretical description of vibrationally resolved valence-shell photoionization of H2O

Autor: Fernando Martín, D. Iablonskyi, Kuno Kooser, Piero Decleva, Taishi Ono, Kiyoshi Ueda, Selma Engin, Aleksandar R. Milosavljević, John D. Bozek, Jesús González-Vázquez, Saikat Nandi, Edwin Kukk, Gianluigi Grimaldi Maliyar

Publikováno v: Structural Dynamics
Repositorio Institucional del Instituto Madrileño de Estudios Avanzados en Nanociencia
instname
Structural Dynamics, Vol 6, Iss 5, Pp 054101-054101-10 (2019)

We have performed a full-dimensional theoretical study of vibrationally resolved photoelectron emission from the valence shell of the water molecule by using an extension of the static-exchange density functional theory that accounts for ionization a

Externí odkaz: https://explore.openaire.eu/search/publication?articleId=doi_dedup___::76f7c7cb165062699a12c0f13fccf19a
http://hdl.handle.net/20.500.12614/1749

Excitation of vibrational modes in the ionization of water molecule by XUV/X-ray radiation

Autor: Selma Engin, Alicia Palacios, Jesús González-Vázquez, David Ayuso, Piero Decleva, Fernando Martín, Inés Corral

Publikováno v: Repositorio Institucional del Instituto Madrileño de Estudios Avanzados en Nanociencia
instname
Biblos-e Archivo. Repositorio Institucional de la UAM

We present a theoretical study of the vibrationally resolved core photoionization of the water molecule up to high photon energies. In order to understand the role of the coupled electron-nuclear motion in polyatomic molecules, we thus have implement

Externí odkaz: https://explore.openaire.eu/search/publication?articleId=doi_dedup___::1c192c6be38c1e831f75db63aefa9970
http://www.iop.org/EJ/journal/conf

Theoretical study of Raman chirped adiabatic passage by X-ray absorption spectroscopy: Highly excited electronic states and rotational effects

Autor: Richard Taïeb, Selma Engin, Stéphane Carniato, P. Selles, Nicolas Sisourat

Publikováno v: The Journal of Chemical Physics. 140:234303

Raman Chirped Adiabatic Passage (RCAP) is an efficient method to climb the vibrational ladder of molecules. It was shown on the example of fixed-in-space HCl molecule that selective vibrational excitation can thus be achieved by RCAP and that populat

Externí odkaz: https://explore.openaire.eu/search/publication?articleId=doi_dedup___::406b54170394b90ade69326521d92f81
https://doi.org/10.1063/1.4882281