Zobrazeno 1 - 10
of 97
pro vyhledávání: '"O. Jonathan"'
Autor:
Wang, Yuanheng, Hait, Diptarka, Johnson, K. Grace, Fajen, O. Jonathan, Guerrero, Rubén D., Martínez, Todd J.
The increasing availability of GPUs for scientific computing has prompted interest in accelerating quantum chemical calculations through their use. The complexity of integral kernels for high angular momentum basis functions however often limits the
Externí odkaz:
http://arxiv.org/abs/2406.14920
Autor:
Kjønstad, Eirik F., Fajen, O. Jonathan, Paul, Alexander C., Angelico, Sara, Mayer, Dennis, Gühr, Markus, Wolf, Thomas J. A., Martínez, Todd J., Koch, Henrik
The fate of thymine upon excitation by ultraviolet radiation has been the subject of intense debate over the past three decades. Today, it is widely believed that its ultrafast excited state decay stems from a radiationless transition from the bright
Externí odkaz:
http://arxiv.org/abs/2403.01045
Autor:
Hait, Diptarka, Lahana, Dean, Fajen, O. Jonathan, Paz, Amiel S. P., Unzueta, Pablo A., Rana, Bhaskar, Lu, Lixin, Wang, Yuanheng, Martinez, Todd J.
Publikováno v:
J. Chem. Phys. 160, 244101 (2024)
Simulations of photochemical reaction dynamics have been a challenge to the theoretical chemistry community for some time. In an effort to determine the predictive character of current approaches, we predict the results of an upcoming ultrafast diffr
Externí odkaz:
http://arxiv.org/abs/2402.10710
Publikováno v:
Inorganics, Vol 7, Iss 9, p 105 (2019)
The synthesis of tetravalent thorium and uranium complexes with the phosphaazaallene moiety, [N(tBu)C=P(C6H5)]2−, is described. The reaction of the bis(phosphido) complexes, (C5Me5)2An[P(C6H5)(SiMe3)]2, An = Th, U, with two equivalents of tBuNC pro
Externí odkaz:
https://doaj.org/article/b44a46bba0fa446fa910d301eccc1c52
Autor:
Fajen, O. Jonathan, Brorsen, Kurt R.
This study implements the full multicomponent third-order (MP3) and fourth-order (MP4) many-body perturbation theory methods for the first time. Previous multicomponent studies have only implemented a subset of the full contributions and the present
Externí odkaz:
http://arxiv.org/abs/2109.05590
Autor:
Fajen, O. Jonathan, Brorsen, Kurt R.
Multicomponent methods seek to treat select nuclei, typically protons, fully quantum mechanically and equivalent to the electrons of a chemical system. In such methods, it is well known that due to the neglect of electron-proton correlation, a Hartre
Externí odkaz:
http://arxiv.org/abs/2011.06040
Autor:
Omeje Maxwell, Orere Faith Oghenerukevwe, O. Adewoyin Olusegun, Emmanuel Sunday Joel, Ozieme Arinze. Daniel, Ayanbisi Oluwasegun, Hassana O. Jonathan, Taiwo O. Samson, Ngozi Adeleye, Orosun Muyiwa Michael, A. Omeje Uchechukwu, A. Akinwumi Oluwasayo, Akinwumi Akinpelu, Akinyemi M. L, Olagoke Oladokun
Publikováno v:
Heliyon, Vol 7, Iss 12, Pp e08470- (2021)
The poor access to water quality for Nigerians has pushed for the designing of new trend silver nitrate impregnated locally made Point-Of-Use (POU) ceramic filters to enhance water purification efficiency for household use. This study utilized silver
Externí odkaz:
https://doaj.org/article/796b41f1772a4025a19da1b7b2846bca
Akademický článek
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Autor:
Oghogho Ikponmwosa, Omughele Avwerosuo Reuben, Otuagoma Smith, O., Okpare Anthony., O., Oyubu A. Oyubu, Eyenubo O. Jonathan, Efenedo Gabriel, I., Okpeki Kazeem, U., Ufuoma Jeffrey Okieke, Ebimene E., E., Akporhonor Gbubemi Kevin, Aloamaka Anthony Chukwudi, Anamonye, G.U.
A smart distributor system for controlling a micro grid has been developed in this work. The system switches ON different generators one after the other as the consumer load demand increases or switches them OFF one after the other as the consumer lo
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::7b31ee6cca95c4578512711d4b4ff942
Publikováno v:
Journal of Fire Sciences. :073490412311713
Polymeric textile materials, now, find extensive application in modern society than previously imagined, particularly in protective clothing. The application of these polymeric materials has been restricted by their flammability and contribution to f