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pro vyhledávání: '"Adam, Ahmad Y."'
Autor:
Yurchenko, Sergei N., Tennyson, Jonathan, Syme, Anna-Maree, Adam, Ahmad Y., Clark, Victoria H. J., Cooper, Bridgette, Dobney, C. Pria, Donnelly, Shaun T. E., Gorman, Maire N., Lynas-Gray, Anthony E., Meltzer, Thomas, Owens, Alec, Qu, Qianwei, Semenov, Mikhail, Somogyi, Wilfrid, Upadhyay, Apoorva, Wright, Samuel, Trujillo, Juan C. Zapata
A new silicon monoxide ($^{28}$Si$^{16}$O) line list covering infrared, visible and ultraviolet regions called SiOUVenIR is presented. This line list extends the infrared EBJT ExoMol line list by including vibronic transitions to the $A\,{}^{1}\Pi$ a
Externí odkaz:
http://arxiv.org/abs/2111.04859
We present the first variational calculation of a hot temperature ab initio line list for the CH$_3$ radical. It is based on a high level ab initio potential energy surface and dipole moment surface of CH$_3$ in the ground electronic state. The ro-vi
Externí odkaz:
http://arxiv.org/abs/1905.05504
Autor:
Adam, Ahmad Y.
Classical mechanical calculations have been performed to minimize the structure of alanine dipeptide using different Amber force fields. The minimization process leads to the second lowest conformer, the C5 conformer, compared to ab initio methods an
Publikováno v:
In Journal of Molecular Spectroscopy August 2019 362:77-83
Akademický článek
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Autor:
Yurchenko, Sergei N, Tennyson, Jonathan, Syme, Anna-Maree, Adam, Ahmad Y, Clark, Victoria H J, Cooper, Bridgette, Dobney, C Pria, Donnelly, Shaun T E, Gorman, Maire N, Lynas-Gray, Anthony E, Meltzer, Thomas, Owens, Alec, Qu, Qianwei, Semenov, Mikhail, Somogyi, Wilfrid, Upadhyay, Apoorva, Wright, Samuel, Zapata Trujillo, Juan C
Publikováno v:
Monthly Notices of the Royal Astronomical Society; Feb2022, Vol. 510 Issue 1, p903-919, 17p
Autor:
Adam, Ahmad Y.
We present the first variational calculation of a room temperature ab initio line list for the CH3 radical. It is based on a high level ab initio potential energy, dipole moment surface, and polarizability surfaces of CH3 in the ground electronic sta
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::c3e67c1ac047cbd311a97ae252b6e73c
http://elpub.bib.uni-wuppertal.de/edocs/dokumente/fbc/chemie/diss2018/adam
http://elpub.bib.uni-wuppertal.de/edocs/dokumente/fbc/chemie/diss2018/adam
Publikováno v:
The journal of physical chemistry / C 123(22), 4755-4763 (2019). doi:10.1021/acs.jpca.9b02919
The journal of physical chemistry / C 123(22), 4755 - 4763 (2019). doi:10.1021/acs.jpca.9b02919
We present the first variational calculation of a hot-temperature ab initio line list for the CH$_3$ radical. It is based on a high-level ab initio p
We present the first variational calculation of a hot-temperature ab initio line list for the CH$_3$ radical. It is based on a high-level ab initio p
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::efa0aed102e26dd6acf303bc36260158
https://bib-pubdb1.desy.de/record/423335
https://bib-pubdb1.desy.de/record/423335
Publikováno v:
Journal of Chemical Physics; 2015, Vol. 143 Issue 24, p1-7, 7p
Publikováno v:
Journal of Physical Chemistry A; 6/6/2019, Vol. 123 Issue 22, p4755-4763, 9p