Zobrazeno 1 - 10
of 39
pro vyhledávání: '"Jindal, Shweta"'
We present machine learning models based on kernel-ridge regression for predicting X-ray photoelectron spectra of organic molecules originating from the $K$-shell ionization energies of carbon (C), nitrogen (N), oxygen (O), and fluorine (F) atoms. We
Externí odkaz:
http://arxiv.org/abs/2405.20033
Autor:
Kandpal, Saurabh Chandra, Otukile, Kgalaletso P., Jindal, Shweta, Senthil, Salini, Matthews, Cameron, Chakraborty, Sabyasachi, Moskaleva, Lyudmila V., Ramakrishnan, Raghunathan
Publikováno v:
Phys. Chem. Chem. Phys., 2023
The hydroperoxyalkyl radicals (.QOOH) are known to play a significant role in combustion and tropospheric processes, yet their direct spectroscopic detection remains challenging. In this study, we investigate molecular stereo-electronic effects influ
Externí odkaz:
http://arxiv.org/abs/2305.12706
Autor:
Jindal, Shweta
Thesis: S.M. in Engineering and Management, Massachusetts Institute of Technology, System Design and Management Program, 2018.
Cataloged from PDF version of thesis.
Includes bibliographical references (page 51).
There is an increasing
Cataloged from PDF version of thesis.
Includes bibliographical references (page 51).
There is an increasing
Externí odkaz:
http://hdl.handle.net/1721.1/118546
Autor:
Jindal, Shweta, Bulusu, Satya S.
We have designed a new method to fit the energy and atomic forces using a single artificial neural network (SANN) for any number of chemical species present in a molecular system. The traditional approach for fitting the potential energy surface (PES
Externí odkaz:
http://arxiv.org/abs/1810.06204
Autor:
Jindal, Shweta, Bulusu, Satya S. ⁎
Publikováno v:
In Chemical Physics Letters February 2018 693:152-158
Akademický článek
Tento výsledek nelze pro nepřihlášené uživatele zobrazit.
K zobrazení výsledku je třeba se přihlásit.
K zobrazení výsledku je třeba se přihlásit.
Autor:
Kandpal, Saurabh Chandra, Otukile, Kgalaletso P., Jindal, Shweta, Senthil, Salini, Matthews, Cameron, Chakraborty, Sabyasachi, Moskaleva, Lyudmila V., Ramakrishnan, Raghunathan
In this study, we investigate the stability of hydroperoxyalkyl radicals, .QOOH, in terms of various stereo-electronic effects stemming from molecular structural features. These radicals are known to play a significant role in combustion and troposph
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::83ebb1cf10112d99bd93eb0c0cc1dc8b
http://arxiv.org/abs/2305.12706
http://arxiv.org/abs/2305.12706
Autor:
Jindal, Shweta, Bulusu, Satya S.
Publikováno v:
Journal of Chemical Physics; 4/21/2020, Vol. 152 Issue 15, p1-12, 12p, 7 Color Photographs, 6 Charts, 2 Graphs
Akademický článek
Tento výsledek nelze pro nepřihlášené uživatele zobrazit.
K zobrazení výsledku je třeba se přihlásit.
K zobrazení výsledku je třeba se přihlásit.
Publikováno v:
Asian Journal of Neurosurgery; 2023, Vol. 18 Issue 2, p301-305, 5p