Zobrazeno 1 - 10
of 895
pro vyhledávání: '"A. del Mazo"'
CH$_3^+$, a cornerstone intermediate in interstellar chemistry, has recently been detected for the first time by the James Webb Space Telescope. The photodissociation of this ion is studied here. Accurate explicitly correlated multi-reference configu
Externí odkaz:
http://arxiv.org/abs/2404.15032
Autor:
del Mazo-Sevillano, P., Hermann, J.
Practical density functional theory (DFT) owes its success to the groundbreaking work of Kohn and Sham that introduced the exact calculation of the non-interacting kinetic energy of the electrons using an auxiliary mean-field system. However, the ful
Externí odkaz:
http://arxiv.org/abs/2306.17587
Autor:
del Mazo-Sevillano, P., Félix-González, D., Aguado, A., Sanz-Sanz, C., Kwon, D. -H., Roncero, O.
Publikováno v:
Molecular Physics (2023)
The title reaction is studied using a quasi-classical trajectory method for collision energies between 0.1 meV and 10 eV, considering the vibrational excitation of H$_2^+$ reactant. A new potential energy surface is developed based on a Neural Networ
Externí odkaz:
http://arxiv.org/abs/2303.01828
Publikováno v:
Materials & Design, Vol 243, Iss , Pp 113035- (2024)
The development of 3D-printed calcium phosphate bone grafts represents a breakthrough for personalized bone tissue engineering. However, their high brittleness is a limiting factor for clinical applications. The present work aims to overcome this dra
Externí odkaz:
https://doaj.org/article/95b195aa36ba4dcf814ecf6d1344a155
Autor:
del-Mazo-Barbara, Laura, Gómez-Cuyàs, Judith, Martínez-Orozco, Leandro, Santana Pérez, Orlando, Bou-Petit, Elisabeth, Ginebra, Maria-Pau
Publikováno v:
In Polymer Testing October 2024 139
Autor:
Yarahmadi, Mona, Del Mazo-Barbara, Laura, Roa, Joan Josep, Llanes, Luis, Ginebra, Maria-Pau, Fargas, Gemma
Publikováno v:
In Journal of the European Ceramic Society January 2025 45(1)
Publikováno v:
In Materials & Design July 2024 243
Autor:
Ramos, Nadia M.V., Del-Mazo-Alvarado, Octavio, Bonilla-Petriciolet, Adrián, de Lima Luz Jr, Luiz Fernando, Corazza, Marcos L.
Publikováno v:
In Chemical Engineering and Processing - Process Intensification May 2024 199
Publikováno v:
In Acta Biomaterialia 15 March 2024 177:506-524
A new potential energy surface (PES) and dynamical study are presented of the reactive process between H2CO + OH towards the formation of HCO + H2O and HCOOH + H. In this work a source of spurious long range interactions in symmetry adapted neural ne
Externí odkaz:
http://arxiv.org/abs/2102.02682