المؤلفون: Troß, Jan, Carter-Fenk, Kevin, Cole-Filipiak, Neil C, Schrader, Paul, Word, Mi’Kayla, McCaslin, Laura M, Head-Gordon, Martin, Ramasesha, Krupa

المصدر: The Journal of Physical Chemistry A. 127(18)

مصطلحات موضوعية: Chemical Sciences, Physical Chemistry, Theoretical and Computational Chemistry, Physical Sciences, Atomic, Molecular and Optical Physics, Atomic, Molecular, Nuclear, Particle and Plasma Physics, Physical Chemistry (incl. Structural), Physical chemistry, Theoretical and computational chemistry, Atomic, molecular and optical physics

وصف الملف: application/pdf

URL الوصول: https://escholarship.org/uc/item/7t76r097
https://escholarship.org/content/qt7t76r097/qt7t76r097.pdf

المؤلفون: Cole-Filipiak, Neil C., Troß, Jan, Schrader, Paul, McCaslin, Laura M., Ramasesha, Krupa

المساهمون: Basic Energy Sciences

المصدر: ACS Physical Chemistry Au ; volume 4, issue 6, page 605-609 ; ISSN 2694-2445 2694-2445

الاتاحة: https://doi.org/10.1021/acsphyschemau.4c00033
https://pubs.acs.org/doi/pdf/10.1021/acsphyschemau.4c00033

المؤلفون: Hockey, Emily K., McLane, Nathan, Vlahos, Korina, McCaslin, Laura M., Dodson, Leah G.

المصدر: Journal of Chemical Physics; 3/7/2024, Vol. 160 Issue 9, p1-12, 12p

مصطلحات موضوعية: CONFORMATIONAL isomers, DIHEDRAL angles, QUANTUM chemistry, CONFORMERS (Chemistry), SURFACE dynamics, SURFACE properties

المؤلفون: Kapnas, Kara M, McCaslin, Laura M, Murray, Craig

المصدر: Physical Chemistry Chemical Physics. 21(26)

مصطلحات موضوعية: Chemical Physics

وصف الملف: application/pdf

URL الوصول: https://escholarship.org/uc/item/77j5n5x8

المؤلفون: McCaslin, Laura M, Johnson, Mark A, Gerber, R Benny

المصدر: Science Advances. 5(6)

مصطلحات موضوعية: Chemical Sciences, Physical Chemistry, Theoretical and Computational Chemistry

وصف الملف: application/pdf

URL الوصول: https://escholarship.org/uc/item/9hh5d7mr

المؤلفون: Rishi, Varun, Cole-Filipiak, Neil C., Ramasesha, Krupa, McCaslin, Laura M.

المصدر: Physical Chemistry Chemical Physics (PCCP); 9/28/2024, Vol. 26 Issue 36, p23986-23997, 12p

المؤلفون: Troß, Jan, Arias-Martinez, Juan E., Carter-Fenk, Kevin, Cole-Filipiak, Neil C., Schrader, Paul, McCaslin, Laura M., Head-Gordon, Martin, Ramasesha, Krupa

المصدر: Journal of the American Chemical Society; 8/14/2024, Vol. 146 Issue 32, p22711-22723, 13p

المؤلفون: Troß, Jan, Arias-Martinez, Juan E., Carter-Fenk, Kevin, Cole-Filipiak, Neil C., Schrader, Paul, McCaslin, Laura M., Head-Gordon, Martin, Ramasesha, Krupa

المساهمون: Basic Energy Sciences, National Institute of General Medical Sciences

المصدر: Journal of the American Chemical Society ; volume 146, issue 32, page 22711-22723 ; ISSN 0002-7863 1520-5126

الاتاحة: http://dx.doi.org/10.1021/jacs.4c07523
https://pubs.acs.org/doi/pdf/10.1021/jacs.4c07523

المؤلفون: Foley, Casey D., Lee, Chin, Abou Taka, Ali, Au, Kendrew, Chollet, Etienne, Kubasik, Matthew A., McCaslin, Laura M., Zwier, Timothy S.

المساهمون: Basic Energy Sciences

المصدر: Journal of the American Chemical Society ; volume 146, issue 19, page 13282-13295 ; ISSN 0002-7863 1520-5126

الاتاحة: http://dx.doi.org/10.1021/jacs.4c01576
https://pubs.acs.org/doi/pdf/10.1021/jacs.4c01576

المؤلفون: Cole-Filipiak, Neil C., Troß, Jan, Schrader, Paul, McCaslin, Laura M., Ramasesha, Krupa

المصدر: Journal of Chemical Physics; 4/14/2022, Vol. 156 Issue 14, p1-13, 13p

مصطلحات موضوعية: INFRARED absorption, TIME-dependent density functional theory, THERMOCHEMISTRY, SPIN-orbit coupling constants, PHOTOEXCITATION, POTENTIAL energy surfaces, PHOTODISSOCIATION

المؤلفون: Mitra, Sayoni, Duong, Chinh H., McCaslin, Laura M., Gerber, R. Benny, Johnson, Mark A.

المصدر: Physical Chemistry Chemical Physics ; volume 22, issue 11, page 6478-6478 ; ISSN 1463-9076 1463-9084

الاتاحة: http://dx.doi.org/10.1039/d0cp90054k
http://pubs.rsc.org/en/content/articlepdf/2020/CP/D0CP90054K

المؤلفون: DeVine, Jessalyn A., Debnath, Sreekanta, Li, Ya-Ke, McCaslin, Laura M., Schöllkopf, Wieland, Neumark, Daniel M., Asmis, Knut R.

المساهمون: Air Force Office of Scientific Research, Deutsche Forschungsgemeinschaft

المصدر: Molecular Physics ; volume 118, issue 11, page e1749953 ; ISSN 0026-8976 1362-3028

الاتاحة: https://doi.org/10.1080/00268976.2020.1749953
https://www.tandfonline.com/doi/pdf/10.1080/00268976.2020.1749953

المؤلفون: Abou Taka, Ali, Herbert, John M., McCaslin, Laura M.

المصدر: Journal of Physical Chemistry Letters; 12/14/2023, Vol. 14 Issue 49, p11063-11068, 6p

المؤلفون: McCaslin, Laura M., Johnson, Mark A., Gerber, R. Benny

المساهمون: Zuckerman STEM Leadership Program, U.S. National Science Foundation Center for Aerosol Impacts on Chemistry of the Environment, XSEDE

المصدر: Science Advances ; volume 5, issue 6 ; ISSN 2375-2548

الاتاحة: http://dx.doi.org/10.1126/sciadv.aav6503
https://www.science.org/doi/pdf/10.1126/sciadv.aav6503

المؤلفون: McCaslin, Laura M., Götz, Andreas W., Johnson, Mark A., Gerber, R. Benny

المصدر: ChemPhysChem ; volume 24, issue 5 ; ISSN 1439-4235 1439-7641

الاتاحة: http://dx.doi.org/10.1002/cphc.202300085
https://onlinelibrary.wiley.com/doi/pdf/10.1002/cphc.202300085
https://onlinelibrary.wiley.com/doi/full-xml/10.1002/cphc.202300085

المؤلفون: Abou Taka, Ali, Reynolds, Joseph E., Cole-Filipiak, Neil C., Shivanna, Mohana, Yu, Christine J., Feng, Patrick, Allendorf, Mark D., Ramasesha, Krupa, Stavila, Vitalie, McCaslin, Laura M.

المساهمون: Laboratory Directed Research and Development

المصدر: Physical Chemistry Chemical Physics ; volume 25, issue 40, page 27065-27074 ; ISSN 1463-9076 1463-9084

الاتاحة: http://dx.doi.org/10.1039/d3cp03720g
http://pubs.rsc.org/en/content/articlepdf/2023/CP/D3CP03720G

المؤلفون: Abou Taka, Ali, Herbert, John M., McCaslin, Laura M.

المساهمون: Division of Chemistry, Sandia National Laboratories

المصدر: The Journal of Physical Chemistry Letters ; volume 14, issue 49, page 11063-11068 ; ISSN 1948-7185 1948-7185

الاتاحة: http://dx.doi.org/10.1021/acs.jpclett.3c02787
https://pubs.acs.org/doi/pdf/10.1021/acs.jpclett.3c02787

المؤلفون: Cole-Filipiak, Neil C., Troß, Jan, Schrader, Paul, McCaslin, Laura M., Ramasesha, Krupa

المصدر: Journal of Chemical Physics; 4/7/2021, Vol. 154 Issue 13, p1-13, 13p

مصطلحات موضوعية: INFRARED spectroscopy, PHOTODISSOCIATION, IRON, POTENTIAL energy surfaces, PHOTOEXCITATION, EXCITED states, ULTRAVIOLET spectroscopy, PHOTOCHEMISTRY

المؤلفون: Hockey, Emily K., McLane, Nathan, Vlahos, Korina, McCaslin, Laura M., Dodson, Leah G.

المساهمون: American Chemical Society Petroleum Research Fund, University of Maryland, Basic Energy Sciences

الاتاحة: http://dx.doi.org/10.26434/chemrxiv-2023-4vtc9
https://chemrxiv.org/engage/api-gateway/chemrxiv/assets/orp/resource/item/655bd5b7dbd7c8b54bab2ca8/original/matrix-formation-dynamics-dictate-methyl-nitrite-conformer-abundance.pdf

المؤلفون: Abou Taka, Ali, Herbert, John M., McCaslin, Laura M.

المساهمون: Laboratory Directed Research and Development, National Science Foundation

الاتاحة: http://dx.doi.org/10.26434/chemrxiv-2023-1xz7b
https://chemrxiv.org/engage/api-gateway/chemrxiv/assets/orp/resource/item/64930a5824989702c2b9021f/original/ground-state-orbital-analysis-predicts-s1-charge-transfer-in-donor-acceptor-materials.pdf