المؤلفون: Cao, Yixiang, Balduf, Ty, Beachy, Michael D., Bennett, M. Chandler, Bochevarov, Art D., Chien, Alan, Dub, Pavel A., Dyall, Kenneth G., Furness, James W., Halls, Mathew D., Hughes, Thomas F., Jacobson, Leif D., Kwak, H. Shaun, Levine, Daniel S., Mainz, Daniel T., Moore III, Kevin B., Svensson, Mats, Videla, Pablo E., Watson, Mark A., Friesner, Richard A.

المصدر: Journal of Chemical Physics; 8/7/2024, Vol. 161 Issue 5, p1-37, 37p

مصطلحات موضوعية: VIBRATIONAL circular dichroism, VIBRATIONAL spectra, NUCLEAR magnetic resonance, MAGNETIC traps, USER interfaces, ORGANIC semiconductors

المؤلفون: Kwak, H. Shaun, An, Yuling, Giesen, David J., Hughes, Thomas F., Brown, Christopher T., Leswing, Karl, Abroshan, Hadi, Halls, Mathew D.

المصدر: Frontiers in Chemistry ; volume 9 ; ISSN 2296-2646

الاتاحة: http://dx.doi.org/10.3389/fchem.2021.800370
https://www.frontiersin.org/articles/10.3389/fchem.2021.800370/full

المؤلفون: Afzal, Mohammad Atif Faiz, Browning, Andrea R., Goldberg, Alexander, Halls, Mathew D., Gavartin, Jacob L., Morisato, Tsuguo, Hughes, Thomas F., Giesen, David J., Goose, Joseph E.

المصدر: ACS Applied Polymer Materials ; volume 3, issue 2, page 620-630 ; ISSN 2637-6105 2637-6105

الاتاحة: https://doi.org/10.1021/acsapm.0c00524
http://pubs.acs.org/doi/pdf/10.1021/acsapm.0c00524
https://pubs.acs.org/doi/pdf/10.1021/acsapm.0c00524

المؤلفون: Jerome, Steven V., Hughes, Thomas F., Friesner, Richard A.

المساهمون: NSF graduate research fellowship to S.V.J, Department of Energy grant

المصدر: Protein Science ; volume 25, issue 1, page 277-285 ; ISSN 0961-8368 1469-896X

الاتاحة: http://dx.doi.org/10.1002/pro.2819
https://api.wiley.com/onlinelibrary/tdm/v1/articles/10.1002%2Fpro.2819
https://onlinelibrary.wiley.com/doi/pdf/10.1002/pro.2819

المؤلفون: Faiz Afzal, Mohammad Atif, Lehmkemper, Kristin, Sobich, Ekaterina, Hughes, Thomas F., Giesen, David J., Zhang, Teng, Krauter, Caroline M., Winget, Paul, Degenhardt, Matthias, Kyeremateng, Samuel O., Browning, Andrea R., Shelley, John C.

المساهمون: AbbVie Deutschland

المصدر: Molecular Pharmaceutics ; volume 18, issue 11, page 3999-4014 ; ISSN 1543-8384 1543-8392

الاتاحة: http://dx.doi.org/10.1021/acs.molpharmaceut.1c00289
https://pubs.acs.org/doi/pdf/10.1021/acs.molpharmaceut.1c00289

المؤلفون: Bochevarov, Art D., Harder, Edward, Hughes, Thomas F., Greenwood, Jeremy R., Braden, Dale A., Philipp, Dean M., Rinaldo, David, Halls, Mathew D., Zhang, Jing, Friesner, Richard A.

المصدر: International Journal of Quantum Chemistry ; volume 113, issue 18, page 2110-2142 ; ISSN 0020-7608 1097-461X

الاتاحة: https://doi.org/10.1002/qua.24481
https://api.wiley.com/onlinelibrary/tdm/v1/articles/10.1002%2Fqua.24481
https://onlinelibrary.wiley.com/doi/pdf/10.1002/qua.24481
https://onlinelibrary.wiley.com/doi/full-xml/10.1002/qua.24481

المؤلفون: Johnson, Joseph L., Cusack, Bernadette, Hughes, Thomas F., McCullough, Elizabeth H., Fauq, Abdul, Romanovskis, Peteris, Spatola, Arno F., Rosenberry, Terrone L.

المصدر: Journal of Biological Chemistry ; volume 278, issue 40, page 38948-38955 ; ISSN 0021-9258

الاتاحة: http://dx.doi.org/10.1074/jbc.m304797200
https://api.elsevier.com/content/article/PII:S0021925820832098?httpAccept=text/xml
https://api.elsevier.com/content/article/PII:S0021925820832098?httpAccept=text/plain
https://syndication.highwire.org/content/doi/10.1074/jbc.M304797200

المؤلفون: Afzal, Mohammad Atif Faiz, Browning, Andrea, Goldberg, Alexander, Halls, Mathew D., Gavartin, Jacob L., Morisato, Tsuguo, Hughes, Thomas F., Giesen, David J., Goose, Joseph E.

الاتاحة: http://dx.doi.org/10.26434/chemrxiv.12250229.v2
https://chemrxiv.org/engage/api-gateway/chemrxiv/assets/orp/resource/item/60c752d9567dfeefb0ec5d56/original/high-throughput-molecular-dynamics-simulations-and-validation-of-thermophysical-properties-of-polymers.pdf

المؤلفون: Kwak, H. Shaun, Giesen, David J., Hughes, Thomas F., Goldberg, Alexander, Cao, Yixiang, Gavartin, Jacob, Dixon, Steve, Halls, Mathew D.

المساهمون: So, Franky, Adachi, Chihaya, Kim, Jang-Joo

المصدر: SPIE Proceedings ; Organic Light Emitting Materials and Devices XX ; ISSN 0277-786X

الاتاحة: http://dx.doi.org/10.1117/12.2237951

المؤلفون: Halls, Mathew D., Giesen, David J., Hughes, Thomas F., Goldberg, Alexander, Cao, Yixiang, Kwak, H. Shaun, Mustard, Thomas J., Gavartin, Jacob

المساهمون: So, Franky, Adachi, Chihaya, Kim, Jang-Joo

المصدر: SPIE Proceedings ; Organic Light Emitting Materials and Devices XX ; ISSN 0277-786X

الاتاحة: http://dx.doi.org/10.1117/12.2237940

المؤلفون: Afzal, Mohammad Atif Faiz, Browning, Andrea R., Goldberg, Alexander, Halls, Mathew D., Gavartin, Jacob L., Morisato, Tsuguo, Hughes, Thomas F., Giesen, David J., Goose, Joseph E.

المصدر: ACS Applied Polymer Materials; 2/12/2021, Vol. 3 Issue 2, p620-630, 11p

المؤلفون: Hughes, Thomas F.¹ hughes@qtp.ufl.edu, Barlett, Rodney J.¹ bartlett@qtp.ufl.edu

المصدر: Journal of Chemical Physics. 8/7/2008, Vol. 129 Issue 5, p054105. 13p. 2 Diagrams, 4 Charts, 9 Graphs.

مصطلحات موضوعية: *MOLECULAR orbitals, *TRYPTOPHAN, *AMINO acids, *POLARIZABILITY (Electricity), *DISPERSION (Chemistry), *HAMILTONIAN systems, *QUANTUM chemistry

المؤلفون: Jacobson, Leif D., Bochevarov, Art D., Watson, Mark A., Hughes, Thomas F., Rinaldo, David, Ehrlich, Stephan, Steinbrecher, Thomas B., Vaitheeswaran, S., Philipp, Dean M., Halls, Mathew D., Friesner, Richard A.

المصدر: Journal of Chemical Theory and Computation ; volume 13, issue 11, page 5780-5797 ; ISSN 1549-9618 1549-9626

الاتاحة: http://dx.doi.org/10.1021/acs.jctc.7b00764
https://pubs.acs.org/doi/pdf/10.1021/acs.jctc.7b00764

المؤلفون: Halls, Mathew D., Giesen, David J., Hughes, Thomas F., Goldberg, Alexander, Cao, Yixiang, Kwak, H. Shaun, Gavartin, Jacob

المساهمون: So, Franky, Adachi, Chihaya

المصدر: SPIE Proceedings ; Organic Light Emitting Materials and Devices XVIII ; ISSN 0277-786X

الاتاحة: http://dx.doi.org/10.1117/12.2066565

المؤلفون: Halls, Mathew D., Giesen, David J., Hughes, Thomas F., Goldberg, Alexander, Cao, Yixiang

المساهمون: So, Franky, Adachi, Chihaya

المصدر: SPIE Proceedings ; Organic Light Emitting Materials and Devices XVII ; ISSN 0277-786X

الاتاحة: http://dx.doi.org/10.1117/12.2025092

المؤلفون: Jerome, Steven V., Hughes, Thomas F., Friesner, Richard A.

المساهمون: National Science Foundation, U.S. Department of Energy

المصدر: The Journal of Physical Chemistry B ; volume 118, issue 28, page 8008-8016 ; ISSN 1520-6106 1520-5207

الاتاحة: http://dx.doi.org/10.1021/jp501086h
https://pubs.acs.org/doi/pdf/10.1021/jp501086h

المؤلفون: Hughes, Thomas F., Harvey, Jeremy N., Friesner, Richard A.

المصدر: Physical Chemistry Chemical Physics ; volume 14, issue 21, page 7724 ; ISSN 1463-9076 1463-9084

الاتاحة: http://dx.doi.org/10.1039/c2cp40220c
http://pubs.rsc.org/en/content/articlepdf/2012/CP/C2CP40220C

المؤلفون: DuBay, Kateri H., Hall, Michelle Lynn, Hughes, Thomas F., Wu, Chuanjie, Reichman, David R., Friesner, Richard A.

المصدر: Journal of Chemical Theory and Computation ; volume 8, issue 11, page 4556-4569 ; ISSN 1549-9618 1549-9626

الاتاحة: http://dx.doi.org/10.1021/ct300175w
https://pubs.acs.org/doi/pdf/10.1021/ct300175w

المؤلفون: Hughes, Thomas F., Friesner, Richard A.

المصدر: Journal of Chemical Theory and Computation ; volume 8, issue 2, page 442-459 ; ISSN 1549-9618 1549-9626

الاتاحة: http://dx.doi.org/10.1021/ct2006693
https://pubs.acs.org/doi/pdf/10.1021/ct2006693

المؤلفون: Zhang, Jing, Hughes, Thomas F., Steigerwald, Michael, Brus, Louis, Friesner, Richard A.

المصدر: Journal of the American Chemical Society ; volume 134, issue 29, page 12028-12042 ; ISSN 0002-7863 1520-5126

الاتاحة: http://dx.doi.org/10.1021/ja3013787
https://pubs.acs.org/doi/pdf/10.1021/ja3013787