Zobrazeno 1 - 10
of 12
pro vyhledávání: '"Benjamin J. Killian"'
Autor:
Benjamin J. Killian, Steven Singletary
Publikováno v:
Journal of Chemical Education. 99:1468-1472
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::dfd3970a999963115d5945c969594690
https://doi.org/10.1021/acs.jchemed.1c01084
https://doi.org/10.1021/acs.jchemed.1c01084
Autor:
Hong Zhang, Benjamin J. Killian, C. Dennis Hall, Farukh Jabeen, Jessica D. Turk, Kelcie D. Stiegler, Pauline L. Thiemann, Justin A. Arami, Wenfeng Zhou, Dalia S. Yudewitz, Zuoquan Wang, Peter J. Steel, Alan R. Katritzky, Girinath Gopinathan-Pillai
Publikováno v:
European Journal of Organic Chemistry. 2015:7468-7474
The synthesis and characterization of a series of 3,5-di-aryl-1,2,4-oxadiazoles are reported and the effects of nitro groups in the aromatic rings on the experimental heats of decomposition (ΔHd) and heats of combustion (ΔHc) are evaluated. Heats o
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::76f6d91633068f1f5c9c1ad21fb21784
https://doi.org/10.1002/ejoc.201501056
https://doi.org/10.1002/ejoc.201501056
Autor:
Zuoquan Wang, Farukh Jabeen, Peter J. Steel, Alan R. Katritzky, Hong Zhang, Benjamin J. Killian, Heather M. Berman, C. Dennis Hall, Girinath G. Pillai, Ashani J. Sibble, Michael Mathelier, Wenfeng Zhou, Justin Yeung
Publikováno v:
European Journal of Organic Chemistry. 2015:5183-5188
An efficient cyclization between nitro-substituted benzoic acids and nitro-substituted benzohydrazides affords 1,3,4-oxadiazoles. Facile synthesis and a broad substrate scope produce a range of compounds, some of them with potential as high-energy co
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::67be5e1538a2dd4d8d27847006d448fb
https://doi.org/10.1002/ejoc.201500583
https://doi.org/10.1002/ejoc.201500583
Autor:
Benjamin J. Killian, Vladimir Hnizdo, Adam Fedorowicz, Andrew T. Fenley, Dan S. Sharp, Michael K. Gilson
Publikováno v:
The Journal of Physical Chemistry. B
For biomolecules in solution, changes in configurational entropy are thought to contribute substantially to the free energies of processes like binding and conformational change. In principle, the configurational entropy can be strongly affected by p
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::c5983c122b8adb11876c7159122425a3
https://doi.org/10.1021/jp411588b
https://doi.org/10.1021/jp411588b
Autor:
Peter J. Steel, Benjamin J. Killian, Alan R. Katritzky, Ion Ghiviriga, Davit Jishkariani, Zuoquan Wang, C. Dennis Hall
Publikováno v:
Journal of Energetic Materials. 32:227-237
Concise syntheses of nitrogen-rich pyridinium and 1,2,4-triazolium N-imides are reported. Substrate scope and various imide-stabilizing electron withdrawing groups are examined. Energetic properties of the target molecules were studied by heats of co
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::7f75c6a158346b496facfc7dcf989a33
https://doi.org/10.1080/07370652.2013.823255
https://doi.org/10.1080/07370652.2013.823255
Autor:
Paramita Dasgupta, Joslyn Yudenfreund Kravitz, Benjamin J. Killian, Yuan Ping Pang, Sandeep Somani, Michael K. Gilson
Publikováno v:
Journal of Molecular Biology. 389:315-335
Configurational entropy is thought to influence biomolecular processes, but there are still many open questions about this quantity, including its magnitude, its relationship to molecular structure, and the importance of correlation. The mutual infor
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::56309f49963d40cef70666171e065742
https://doi.org/10.1016/j.jmb.2009.04.003
https://doi.org/10.1016/j.jmb.2009.04.003
Publikováno v:
Journal of Computational Chemistry. 29:1605-1614
Changes in the configurational entropies of molecules make important contributions to the free energies of reaction for processes such as protein-folding, noncovalent association, and conformational change. However, obtaining entropy from molecular s
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::079709313d550337c95539d58bcba679
https://doi.org/10.1002/jcc.20919
https://doi.org/10.1002/jcc.20919
Publikováno v:
Journal of Physics B: Atomic, Molecular and Optical Physics. 37:4733-4747
We employ the electron–nuclear dynamics (END) formalism to investigate the resonant charge transfer and scattering processes in the collision of protons on atomic hydrogen as an introduction to investigations of resonant charge transfer in larger a
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::511df58b72c9c0846b700d9e92afe061
https://doi.org/10.1088/0953-4075/37/24/002
https://doi.org/10.1088/0953-4075/37/24/002
We present an approximation to a molecule’s N-dimensional conformational probability density function (pdf) in terms of marginal pdfs of highest order l, where l is much less than N. The approximation is constructed as a product of conditional pdfs
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::688879cf5f866da14ad448cabca4ebc3
https://europepmc.org/articles/PMC2736589/
https://europepmc.org/articles/PMC2736589/
Autor:
Benjamin J, Killian, Joslyn Yudenfreund, Kravitz, Sandeep, Somani, Paramita, Dasgupta, Yuan-Ping, Pang, Michael K, Gilson
Publikováno v:
Journal of molecular biology. 389(2)
Configurational entropy is thought to influence biomolecular processes, but there are still many open questions about this quantity, including its magnitude, its relationship to molecular structure, and the importance of correlation. The mutual infor
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=pmid________::f73ed86837838e9c270ef213c8de8fa6
https://pubmed.ncbi.nlm.nih.gov/19362095
https://pubmed.ncbi.nlm.nih.gov/19362095