المؤلفون: Jablonka, Kevin Maik, Ai, Qianxiang, Al-Feghali, Alexander, Badhwar, Shruti, Bocarsly, Joshua D., Bran, Andres M, Bringuier, Stefan, Brinson, L. Catherine, Choudhary, Kamal, Circi, Defne, Cox, Sam, de Jong, Wibe A., Evans, Matthew L., Gastellu, Nicolas, Genzling, Jerome, Gil, María Victoria, Gupta, Ankur K., Hong, Zhi, Imran, Alishba, Kruschwitz, Sabine, Labarre, Anne, Lála, Jakub, Liu, Tao, Ma, Steven, Majumdar, Sauradeep, Merz, Garrett W., Moitessier, Nicolas, Moubarak, Elias, Mouriño, Beatriz, Pelkie, Brenden, Pieler, Michael, Ramos, Mayk Caldas, Ranković, Bojana, Rodriques, Samuel G., Sanders, Jacob N., Schwaller, Philippe, Schwarting, Marcus, Shi, Jiale, Smit, Berend, Smith, Ben E., Van Herck, Joren, Völker, Christoph, Ward, Logan, Warren, Sean, Weiser, Benjamin, Zhang, Sylvester, Zhang, Xiaoqi, Zia, Ghezal Ahmad, Scourtas, Aristana, Schmidt, KJ, Foster, Ian, White, Andrew D., Blaiszik, Ben

مصطلحات موضوعية: Condensed Matter - Materials Science, Computer Science - Machine Learning, Physics - Chemical Physics

الوصول الحر: http://arxiv.org/abs/2306.06283Test

المؤلفون: Price, Amy N, Gupta, Ankur K, de Jong, Wibe A, Arnold, Polly L

المصدر: Dalton Transactions. 52(17)

مصطلحات موضوعية: Inorganic Chemistry, Chemical Sciences, CSD-46-All CSGB, CSD-05-HEC-A, Theoretical and Computational Chemistry, Other Chemical Sciences, Inorganic & Nuclear Chemistry, Inorganic chemistry

وصف الملف: application/pdf

الوصول الحر: https://escholarship.org/uc/item/6hj1d9vjTest
https://escholarship.org/content/qt6hj1d9vj/qt6hj1d9vj.pdfTest

المؤلفون: Gupta, Ankur K., Maier, Sarah, Thapa, Bishnu, Raghavachari, Krishnan

المساهمون: Division of Chemistry

المصدر: Journal of Chemical Theory and Computation ; volume 20, issue 7, page 2774-2785 ; ISSN 1549-9618 1549-9626

مصطلحات موضوعية: Physical and Theoretical Chemistry, Computer Science Applications

الإتاحة: https://doi.org/10.1021/acs.jctc.3c01293Test

المؤلفون: Gupta, Ankur K., Raghavachari, Krishnan

المصدر: Journal of Physical Chemistry A; 1/11/2024, Vol. 128 Issue 1, p28-40, 13p

المؤلفون: Gupta, Ankur K., Raghavachari, Krishnan

المساهمون: Division of Chemistry

المصدر: The Journal of Physical Chemistry A ; volume 128, issue 1, page 28-40 ; ISSN 1089-5639 1520-5215

مصطلحات موضوعية: Physical and Theoretical Chemistry

الإتاحة: https://doi.org/10.1021/acs.jpca.3c04395Test

المؤلفون: Topolski, Josey E., Gupta, Ankur K., Nickson, Kathleen A., Raghavachari, Krishnan, Jarrold, Caroline Chick

المساهمون: U.S. Department of Energy, Office of Science, Basic Energy Sciences, CPIMS Program, NSF REU program

المصدر: International Journal of Mass Spectrometry ; volume 434, page 193-201 ; ISSN 1387-3806

مصطلحات موضوعية: Physical and Theoretical Chemistry, Spectroscopy, Condensed Matter Physics, Instrumentation

الإتاحة: https://doi.org/10.1016/j.ijms.2018.09.019Test
https://api.elsevier.com/content/article/PII:S1387380618302690?httpAccept=text/xmlTest
https://api.elsevier.com/content/article/PII:S1387380618302690?httpAccept=text/plainTest

المؤلفون: Mason, Jarrett L.¹ (AUTHOR), Gupta, Ankur K.¹ (AUTHOR), McMahon, Abbey J.¹ (AUTHOR), Folluo, Carley N.¹ (AUTHOR), Raghavachari, Krishnan¹ (AUTHOR), Jarrold, Caroline Chick¹ (AUTHOR) cjarrold@indiana.edu

المصدر: Journal of Chemical Physics. 2/7/2020, Vol. 152 Issue 5, p1-11. 11p. 2 Charts, 6 Graphs.

مصطلحات موضوعية: *MOLECULAR structure, *TIME-of-flight mass spectrometry, *ELECTRON configuration, *HYDROGEN evolution reactions, *MANGANESE, *WATER clusters, *METALLIC oxides, *MOLYBDENUM

المؤلفون: Gupta, Ankur K., Gamoke, Benjamin C., Raghavachari, Krishnan

المساهمون: U. S. Department of Energy (DOE)

المصدر: The Journal of Physical Chemistry A ; volume 125, issue 21, page 4668-4682 ; ISSN 1089-5639 1520-5215

مصطلحات موضوعية: Physical and Theoretical Chemistry

الإتاحة: https://doi.org/10.1021/acs.jpca.1c02918Test