Zobrazeno 1 - 9
of 9
pro vyhledávání: '"Daniela Trogolo"'
Publikováno v:
The Journal of Physical Chemistry A. 123:517-536
Reactions with ozone transform organic and inorganic molecules in water treatment systems as well as in atmospheric chemistry, either in the aqueous phase, at gas/particle interfaces, or in the gas phase. Computed thermokinetic data can be used to es
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::59b52319c6f8290b4675bda36e731cbc
https://doi.org/10.1021/acs.jpca.8b10323
https://doi.org/10.1021/acs.jpca.8b10323
Publikováno v:
Water Research. 110:91-101
The formation and further reactions of halamines during oxidative water treatment can be relevant for water quality. In this study, we investigated the formation and reactivity of several inorganic and organic halamines (monochloramine, N-chloromethy
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::35f51e6e4db7c5f9c83f7f776b3b5e3e
https://doi.org/10.1016/j.watres.2016.11.065
https://doi.org/10.1016/j.watres.2016.11.065
Publikováno v:
Combustion and Flame. 168:331-341
Propargyl radical addition to 1,3-butadiene seems to be a promising channel to form 5-, 6-, and 7-membered rings. These are important steps in the growth of polycyclic aromatic hydrocarbons and soot platelets. The reaction mechanism, involving 97 int
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::acf380930dfcf94796878b1d501bcefb
https://doi.org/10.1016/j.combustflame.2016.02.020
https://doi.org/10.1016/j.combustflame.2016.02.020
Publikováno v:
Environmental Science & Technology. 49:4163-4175
During ozonation of drinking water, the fungicide metabolite N,N-dimethylsulfamide (DMS) can be transformed into a highly toxic product, N-nitrosodimethylamine (NDMA). We used quantum chemical computations and stopped-flow experiments to evaluate a c
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::f372d68997c434292356eee72d1a7e58
https://doi.org/10.1021/es504407h
https://doi.org/10.1021/es504407h
Publikováno v:
The Journal of Physical Chemistry A. 118:427-440
Combustive formation of a first carbon ring is an important step in the growth of polycyclic aromatic hydrocarbons (PAHs) and soot platelets. Propargyl radical addition to but-1-ene-3-yne (vinylacetylene) can start this process, possibly forming 5-,
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::1d2550238b8127f387464f0dacddc2b1
https://doi.org/10.1021/jp4082905
https://doi.org/10.1021/jp4082905
Autor:
Daniela Trogolo, J. Samuel Arey
Publikováno v:
Physical chemistry chemical physics : PCCP. 18(45)
Correction for 'Benchmark thermochemistry of chloramines, bromamines, and bromochloramines: halogen oxidants stabilized by electron correlation' by Daniela Trogolo et al., Phys. Chem. Chem. Phys., 2015, 17, 3584–3598.
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::4017814ea30739fdda7fae78637a2863
https://pubmed.ncbi.nlm.nih.gov/25553729
https://pubmed.ncbi.nlm.nih.gov/25553729
Publikováno v:
Disinfection By-products in Drinking Water ISBN: 9781782620884
During ozonation of bromine-containing drinking water, N,N-dimethylsulfamide can be transformed into NDMA. Using quantum chemistry methods we can assess this NDMA formation mechanism, which involves extremely reactive intermediates that are difficult
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::7b0ac516269e9e91339a98e4c1c86f1c
https://doi.org/10.1039/9781782622710-00262
https://doi.org/10.1039/9781782622710-00262
Publikováno v:
Disinfection By-products in Drinking Water ISBN: 9781782620884
Chloramines, bromamines, and bromochloramines are halogen-containing species that can be formed from the reaction between ammonia and hypohalous acids in water. These species are halogen oxidants implicated in the formation of potentially dangerous d
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::334710dffcadd25eb977965e908ce9e0
https://doi.org/10.1039/9781782622710-00065
https://doi.org/10.1039/9781782622710-00065
Autor:
J. Samuel Arey, Daniela Trogolo
Publikováno v:
Physical chemistry chemical physics : PCCP. 17(5)
Chloramines, bromamines, and bromochloramines are halogen-containing oxidants that arise from the reaction of hypohalous acids with ammonia in water. Although relevant to both water disinfection chemistry and biochemistry, these molecules are difficu
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::c5b57405a7b43c92cc508420097bce39
https://pubmed.ncbi.nlm.nih.gov/27808290
https://pubmed.ncbi.nlm.nih.gov/27808290