Výsledky vyhledávání - "Patricia Honea"

Akademický článek

Structural Characteristics and Reactivity Relationships of Nitroaromatic and Nitramine Explosives Ã¢Â€Â' A Review of Our Computational Chemistry and Spectroscopic Research

Autor: Patricia Honea, Jerzy Leszczynski, Leonid Gorb, Lyssa Taylor, Brett Moore, Mohammad M. Qasim

Publikováno v: International Journal of Molecular Sciences, Vol 8, Iss 12, Pp 1234-1264 (2007)

Although much has been discovered, discussed and written as to problems ofcontamination by various military unique compounds, particularly by the nitrogen basedenergetics (NOCs), remaining problems dictate further evaluation of actual and potentialri

Externí odkaz: https://doaj.org/article/eb934b7bf6cc4dcfb3a226d4cf36d70f

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Reckoning with Einstein: Writing to Cultivate the Subjective Field

Autor: Patricia Honea-Fleming

Publikováno v: Psychoanalysis, Self and Context. 16:140-143

As a practice, writing about the moments inside therapy opens an alchemical process: More of my experience, more reflection, more depth, and more input from other writers flow into the work, transm...

Externí odkaz: https://explore.openaire.eu/search/publication?articleId=doi_________::28a166b5d9595a435c092f33f3b8fd2f
https://doi.org/10.1080/24720038.2021.1890748

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Are 1,5- and 1,7-dihydrodiimidazo[4,5-b:4′,5′-e]pyrazine the main products of 2,4,6,8,10,12-hexanitro-2,4,6,8,10,12-hexaazaisowurtzitane (CL-20) alkaline hydrolysis? A DFT study of vibrational spectra

Autor: Mohammad Qasim, Jerzy Leszczynski, John S. Furey, Yana Kholod, Leonid Gorb, Patricia Honea, Sergiy I. Okovytyy, G.M. Kuramshina, Herbert L. Fredrickson

Publikováno v: Journal of Molecular Structure. 794:288-302

The fully optimized geometries and force fields of the most stable conformation of 2,4,6,8,10,12-hexanitro-2,4,6,8,10,12-hexaazaisowurtzitane and two tautomers 1,5- and 1,7-dihydrodiimidazo[4,5- b :4′,5′- e ]pyrazine were obtained at the B3LYP le

Externí odkaz: https://explore.openaire.eu/search/publication?articleId=doi_________::4139e180866e6c5e547162eb2c660005
https://doi.org/10.1016/j.molstruc.2006.02.061

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Prediction of CL-20 chemical degradation pathways, theoretical and experimental evidence for dependence on competing modes of reaction

Autor: Yana Kholod, Sergiy I. Okovytyy, Jerzy Leszczynski, James E. Szecsody, Patricia Honea, Mohammad Qasim, John S. Furey, Herbert L. Fredrickson

Publikováno v: SAR and QSAR in Environmental Research. 16:495-515

Highest occupied and lowest unoccupied molecular orbital energies, formation energies, bond lengths and FTIR spectra all suggest competing CL-20 degradation mechanisms. This second of two studies investigates recalcitrant, toxic, aromatic CL-20 inter

Externí odkaz: https://explore.openaire.eu/search/publication?articleId=doi_dedup___::abdae4167da6b2ea55e76e013e0f3fbd
https://doi.org/10.1080/10659360500320453

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Structural Characteristics and Reactivity Relationships of Nitroaromatic and Nitramine Explosives – A Review of Our Computational Chemistry and Spectroscopic Research

Autor: Brett Moore, Patricia Honea, Lyssa Taylor, Leonid Gorb, Mohammad Qasim, Jerzy Leszczynski

Publikováno v: International Journal of Molecular Sciences; Volume 8; Issue 12; Pages: 1234-1264
International Journal of Molecular Sciences, Vol 8, Iss 12, Pp 1234-1264 (2007)
International Journal of Molecular Sciences

Although much has been discovered, discussed and written as to problems of contamination by various military unique compounds, particularly by the nitrogen based energetics (NOCs), remaining problems dictate further evaluation of actual and potential

Externí odkaz: https://explore.openaire.eu/search/publication?articleId=doi_dedup___::5d7100e2f1450e6cbca93904c35fbb59

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Application of quantum-chemical approximations to environmental problems: Prediction of physical and chemical properties of TNT and related species

Autor: Mohammad Qasim, Yana Kholod, David H. Magers, Patricia Honea, Leonid Gorb, Jerzy Leszczynski

Publikováno v: Chemosphere. 69(7)

This paper presents accurate predictions of ecologically important properties of nitroaromatic compounds and their derivatives, including vapor pressure, Henry's law constants, water solubility, octanol/water partition coefficients, heats of formatio

Externí odkaz: https://explore.openaire.eu/search/publication?articleId=doi_dedup___::87d52851cae5ca72662abfb3328aa3b8
https://pubmed.ncbi.nlm.nih.gov/17512030

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