Zobrazeno 1 - 8
of 8
pro vyhledávání: '"O. Jonathan Fajen"'
Autor:
Eirik F. Kjønstad, O. Jonathan Fajen, Alexander C. Paul, Sara Angelico, Dennis Mayer, Markus Gühr, Thomas J. A. Wolf, Todd J. Martínez, Henrik Koch
Publikováno v:
Nature Communications, Vol 15, Iss 1, Pp 1-10 (2024)
Abstract The fate of thymine upon excitation by ultraviolet radiation has been the subject of intense debate. Today, it is widely believed that its ultrafast excited state gas phase decay stems from a radiationless transition from the bright π π* s
Externí odkaz:
https://doaj.org/article/d9fd1a56414d4fefb7397f242445ed34
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:
O. Jonathan Fajen, Kurt R. Brorsen
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:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::71eb4d6297d06f5b5a28ed6c627b833e
http://arxiv.org/abs/2109.05590
http://arxiv.org/abs/2109.05590
Autor:
Justin R. Walensky, O. Jonathan Fajen, Matthew P. Shores, Steven P. Kelley, Thomas L. Morrison, Andrew Kerridge, Xhensila Xhani, Thomas Malcomson, Michael L. Tarlton
In continuing to examine the interaction of actinide-ligand bonds with soft donor ligands, a comparative investigation with phosphorus and arsenic was conducted. A reaction of (C5Me5)2AnMe2, An = Th, U, with 2 equiv of H2AsMes, Mes = 2,4,6-Me3C6H2, f
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::9c32cc875cce3c307ddffd2a64b95185
https://doi.org/10.1021/acs.inorgchem.1c01256
https://doi.org/10.1021/acs.inorgchem.1c01256
Autor:
Kurt R. Brorsen, O. Jonathan Fajen
Publikováno v:
Journal of chemical theory and computation. 17(2)
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:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::267dd4aaa68373b51254af187dd1010c
https://pubmed.ncbi.nlm.nih.gov/33404241
https://pubmed.ncbi.nlm.nih.gov/33404241
Publikováno v:
Inorganics
Volume 7
Issue 9
Inorganics, Vol 7, Iss 9, p 105 (2019)
Volume 7
Issue 9
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&minus
is described. The reaction of the bis(phosphido) complexes, (C5Me5)2An[P(C6H5)(SiMe3)]2, An = Th, U, with two equivalents of tB
is described. The reaction of the bis(phosphido) complexes, (C5Me5)2An[P(C6H5)(SiMe3)]2, An = Th, U, with two equivalents of tB
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::2e61b9a37a1a85fb389236ef2e6d5283
Autor:
O. Jonathan Fajen, Kurt R. Brorsen
Publikováno v:
The Journal of Chemical Physics. 152:194107
The multicomponent orbital-optimized second-order Moller–Plesset perturbation theory (OOMP2) method is the first multicomponent MP2 method that is able to calculate qualitatively accurate protonic densities, protonic affinities, and geometrical cha
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::6539d1e6ca339011ce3c9990fbedb5b1
https://doi.org/10.1063/5.0006743
https://doi.org/10.1063/5.0006743
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