Zobrazeno 1 - 10
of 10
pro vyhledávání: '"Liliana F. Alzate"'
Publikováno v:
Vibrational Spectroscopy. 42:357-368
We have investigated the molecular structures and vibration frequencies of 2,4,6-trinitrotoluene (TNT) and its binding energy with the siloxane surface of clay minerals. This was performed in order to determine the vibrational spectroscopic signature
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::4f9fb66d37ae613447d249eebfa41c8d
https://doi.org/10.1016/j.vibspec.2006.05.030
https://doi.org/10.1016/j.vibspec.2006.05.030
Publikováno v:
Journal of Molecular Structure: THEOCHEM. 769:69-76
The subject of study in this investigation were the dinitrotoluenes (DNT), 2,4-DNT, and 2,6-DNT. Molecular orbital calculations at the Density Functional Theory (B3LYP) level with the 3-21G, 6-31G, 6-31G(d), 6-311G, 6-311G(d), and 6-311+G(d,p) family
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::4c4bc8e085af2146eacaf90cdfa9608a
https://doi.org/10.1016/j.theochem.2006.02.029
https://doi.org/10.1016/j.theochem.2006.02.029
Publikováno v:
SPIE Proceedings.
Several military bases and monitions facilities throughout the world are contaminated with toxic explosives like 2,4,6-trinitrotoluene (TNT). This is an energetic compound and the least mobile of the military explosives. For this reason TNT gives one
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::a827eb21bd8e762d8891e7bf0057fa7a
https://doi.org/10.1117/12.664091
https://doi.org/10.1117/12.664091
Publikováno v:
SPIE Proceedings.
Interactions of α-RDX, with the basal siloxane surface of the clay mineral kaolinite has been perform in our laboratory using the Gaussian 03 computational package. The low energy conformation of α-RDX (89.1 kcal/mol) was used to carry out the inte
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::9a38f3438ef809cab84299e5a0a1c7ea
https://doi.org/10.1117/12.664079
https://doi.org/10.1117/12.664079
Publikováno v:
SPIE Proceedings.
Computational algorithms have been very useful to study molecular interactions between explosives and different types of soils. In this work ab initio molecular orbital calculations were employed to study the interaction of 2,4,6-trinitrotoluene (TNT
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::6c24f6ab197155e65ac454421927c6d0
https://doi.org/10.1117/12.602763
https://doi.org/10.1117/12.602763
Publikováno v:
SPIE Proceedings.
Experimental studies have shown that a key factor affecting the bioavailability and biodegradability of nitroaromatic compounds (NAC's) in subsurface environments is their sorption onto clay minerals. This study present the recent ab initio quantum m
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::ce6da06caf7129ea4bc716b6856794b3
https://doi.org/10.1117/12.602755
https://doi.org/10.1117/12.602755
Autor:
Alberto Santana, Miguel E. Castro, Carmen M. Ramos, Yleana Colon, Julio G. Briano, Liliana F. Alzate, Nairmen Mina, Samuel P. Hernández-Rivera
Publikováno v:
Detection and Remediation Technologies for Mines and Minelike Targets IX.
Among the many different signature compounds emitted from a landmine in the vapor phase, 2,4-dinitrotoluene (2,4-DNT) is the most common nitroaromatic compound in terms of detecting buried landmines, although it is a byproduct in the synthesis of TNT
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::7ff22fc9b9e915cacbf0e4a8b02d3da1
https://doi.org/10.1117/12.541675
https://doi.org/10.1117/12.541675
Autor:
Alberto Santana, Yleana Colon, Nairmen Mina, Miguel A. Muñoz, Carmen M. Ramos, Liliana F. Alzate, Samuel P. Hernández-Rivera, Miguel Castro
Publikováno v:
Detection and Remediation Technologies for Mines and Minelike Targets IX.
The chemical spectroscopic signature of the RDX-clay mineral complex has been investigated by means of reflectance FT-IR micro spectroscopy. The mechanical analysis method was used to separate the clay from the other soil components. The soil was obt
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::7a375854e1fd7e7f302a33a472b1e325
https://doi.org/10.1117/12.541703
https://doi.org/10.1117/12.541703
Autor:
Alberto Santana, Julio G. Briano, Liliana F. Alzate, Miguel E. Castro, Yleana Colon, Carmen M. Ramos, Samuel P. Hernández-Rivera, Nairmen Mina
Publikováno v:
Detection and Remediation Technologies for Mines and Minelike Targets IX.
2,4,6-trinitrotoluene (TNT) is the most used explosive as main charge in landmines. There have been found contamination of soil and groundwater with munitions residues of TNT due to buried landmines. We are investigating the molecular structure, vibr
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::de129cdc03f92bf22c6399c567771a84
https://doi.org/10.1117/12.541714
https://doi.org/10.1117/12.541714
Autor:
Carmen M. Ramos, Yleana Colon, Liliana F. Alzate, Miguel Castro, Nairmen Mina, Ismael Cotte, Richard T. Lareau, R. Thomas Chamberlain, Samuel P. Hernández-Rivera
Publikováno v:
SPIE Proceedings.
RDX, a high power explosive used as the main charge in some landmines, was investigated in our laboratory in order to determine the spectroscopic signature to be used in its identification by means of ion mobility spectrometry (IMS) and FTIR. Density
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::163251f695683c2136d0448e9fe43324
https://doi.org/10.1117/12.487334
https://doi.org/10.1117/12.487334