Zobrazeno 1 - 10
of 99
pro vyhledávání: '"Alfredo Aguado"'
Publikováno v:
Frontiers in Chemistry, Vol 7 (2019)
We present the non-adiabatic, conical-intersection quantum dynamics of the title collision where reactants and products are in the ground electronic states. Initial-state-resolved reaction probabilities, total integral cross sections, and rate consta
Externí odkaz:
https://doaj.org/article/2c3b18e965b6481289d47632a593bfd1
Autor:
Dr. Mariajosé González Villarreal, Dr. Edson Josué Pacheco Herrera, Dr. Martha Margarita Aguado Arzola, Dr. Jesús Alfredo Aguado Arzola, Dr. Gilberto Zatarain Hernández, Dr. María de los Ángeles Pietschmann Santa María
Publikováno v:
International Journal of Applied Dental Sciences. 8:322-327
Publikováno v:
The Journal of chemical physics. 157(8)
The cross section and rate constants for the title reaction are calculated for all the spin-orbit states of N
Autor:
Jesús Alfredo Aguado Arzola, Martha Margarita Aguado Arzola, María de los Ángeles Pietschmann Santamaría, Valente Alejandro Aguado Herrera
Publikováno v:
Revista Mexicana de Periodontología. 10:44-48
Publikováno v:
The Journal of chemical physics. 154(10)
The non-adiabatic quantum dynamics of the H + H
Publikováno v:
The Journal of chemical physics. 154(9)
A new potential energy surface (PES) and dynamical study of the reactive process of H
Publikováno v:
Digital.CSIC. Repositorio Institucional del CSIC
instname
instname
14 pags., 12 figs., 2 tabs.
A new potential energy surface (PES) and dynamical study of the reactive process of H2CO + OH toward the formation of HCO + H2O and HCOOH + H are presented. In this work, a source of spurious long range interactions i
A new potential energy surface (PES) and dynamical study of the reactive process of H2CO + OH toward the formation of HCO + H2O and HCOOH + H are presented. In this work, a source of spurious long range interactions i
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::8b528d53ec64eb1967fd09e69e9bf643
http://arxiv.org/abs/2102.02682
http://arxiv.org/abs/2102.02682
Autor:
Cinthya N. Herrera, S. Cuadrado, C. Duran, Denise Riquelme, Octavio Roncero, Edwige Chapillon, Emeric Bron, Jérôme Pety, Javier R. Goicoechea, Alfredo Aguado, Asunción Fuente
Publikováno v:
Biblos-e Archivo. Repositorio Institucional de la UAM
instname
Digital.CSIC. Repositorio Institucional del CSIC
Astronomy and Astrophysics-A&A
Astronomy and Astrophysics-A&A, EDP Sciences, 2021, 647, pp.A10. ⟨10.1051/0004-6361/202039756⟩
instname
Digital.CSIC. Repositorio Institucional del CSIC
Astronomy and Astrophysics-A&A
Astronomy and Astrophysics-A&A, EDP Sciences, 2021, 647, pp.A10. ⟨10.1051/0004-6361/202039756⟩
25 pags., 24 figs., 9 tabs.
Hydride molecules lie at the base of interstellar chemistry, but the synthesis of sulfuretted hydrides is poorly understood and their abundances often crudely constrained. Motivated by new observations of the Orion Ba
Hydride molecules lie at the base of interstellar chemistry, but the synthesis of sulfuretted hydrides is poorly understood and their abundances often crudely constrained. Motivated by new observations of the Orion Ba
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::d4ac6d08ebe70cfb10a27c6247f5c972
http://arxiv.org/abs/2101.01012
http://arxiv.org/abs/2101.01012
Publikováno v:
Digital.CSIC. Repositorio Institucional del CSIC
instname
instname
11 pags., 7 figs., 1 tab. -- This paper is part of the JCP Special Topic on Quantum Dynamics with Ab Initio Potentials
The non-adiabatic quantum dynamics of the H + H2+ → H2 + H+ charge transfer reactions, and some isotopic variants, is studie
The non-adiabatic quantum dynamics of the H + H2+ → H2 + H+ charge transfer reactions, and some isotopic variants, is studie
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::6863735fa55ea426bf512beae7a1ed08
http://hdl.handle.net/10261/258062
http://hdl.handle.net/10261/258062
Publikováno v:
Biblos-e Archivo. Repositorio Institucional de la UAM
instname
Digital.CSIC. Repositorio Institucional del CSIC
instname
Digital.CSIC. Repositorio Institucional del CSIC
11 pags., 7 figs.
The H + D (Formula presented.) (v = 0,1 and 2) charge transfer reaction is studied using an accurate wave packet method, using recently proposed coupled diabatic potential energy surfaces. The state-to-state cross section is ob
The H + D (Formula presented.) (v = 0,1 and 2) charge transfer reaction is studied using an accurate wave packet method, using recently proposed coupled diabatic potential energy surfaces. The state-to-state cross section is ob
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::7719b2376098130d5084b7e28177ace6
http://hdl.handle.net/10486/702968
http://hdl.handle.net/10486/702968