These tools will no longer be maintained as of December 31, 2024. Archived website can be found here. PubMed4Hh GitHub repository can be found here. Contact NLM Customer Service if you have questions.
126 related articles for article (PubMed ID: 17697699)
1. Photodegradation of hexachlorobenzene and theoretical prediction of its degradation pathways using quantum chemical calculation. Yamada S; Naito Y; Takada M; Nakai S; Hosomi M Chemosphere; 2008 Jan; 70(4):731-6. PubMed ID: 17697699 [TBL] [Abstract][Full Text] [Related]
2. Photodechlorination of octachlorodibenzothiophene and octachlorodibenzofuran: comparison of experimental degradation pathways with degradation pathways predicted by DFT. Yamada S; Kishita S; Nakai S; Takada M; Hosomi M Chemosphere; 2008 Oct; 73(6):1005-10. PubMed ID: 18657847 [TBL] [Abstract][Full Text] [Related]
3. Photodegradation of pentachlorophenol and its degradation pathways predicted using density functional theory. Suegara J; Lee BD; Espino MP; Nakai S; Hosomi M Chemosphere; 2005 Oct; 61(3):341-6. PubMed ID: 16182851 [TBL] [Abstract][Full Text] [Related]
4. Quantitative structure-property relationship studies for direct photolysis rate constants and quantum yields of polybrominated diphenyl ethers in hexane and methanol. Fang L; Huang J; Yu G; Li X Ecotoxicol Environ Saf; 2009 Jul; 72(5):1587-93. PubMed ID: 18995905 [TBL] [Abstract][Full Text] [Related]
5. Degradation kinetics of hexachlorobenzene over zero-valent magnesium/graphite in protic solvent system and modeling of degradation pathways using density functional theory. Garbou AM; Liu M; Zou S; Yestrebsky CL Chemosphere; 2019 May; 222():195-204. PubMed ID: 30708153 [TBL] [Abstract][Full Text] [Related]
6. Important role of reaction field in photodegradation of deca-bromodiphenyl ether: theoretical and experimental investigations of solvent effects. Xie Q; Chen J; Shao J; Chen C; Zhao H; Hao C Chemosphere; 2009 Sep; 76(11):1486-90. PubMed ID: 19660780 [TBL] [Abstract][Full Text] [Related]
7. Photoinduced omega-bond dissociation of m-halomethylbenzophenones studied by laser photolysis techniques and DFT calculations. Substituted position effects. Yamaji M; Ogasawara M; Kikuchi K; Nakajima S; Tero-Kubota S; Marciniak B; Nozaki K Phys Chem Chem Phys; 2007 Jul; 9(25):3268-75. PubMed ID: 17579735 [TBL] [Abstract][Full Text] [Related]
8. Quantum chemical investigation and experimental verification on the aquatic photochemistry of the sunscreen 2-phenylbenzimidazole-5-sulfonic acid. Zhang S; Chen J; Qiao X; Ge L; Cai X; Na G Environ Sci Technol; 2010 Oct; 44(19):7484-90. PubMed ID: 20836551 [TBL] [Abstract][Full Text] [Related]
9. Nanosecond CO photodissociation and excited-state character of [Ru(X)(X')(CO)2(N,N'-diisopropyl-1,4-diazabutadiene)] (X=X'=Cl or I; X=Me, X'=I; X=SnPh3, X'=Cl) studied by time-resolved infrared spectroscopy and DFT calculations. Gabrielsson A; Towrie M; Zális S; Vlcek A Inorg Chem; 2008 May; 47(10):4236-42. PubMed ID: 18416548 [TBL] [Abstract][Full Text] [Related]
10. Modeling the sequential photodechlorination of hexachlorobenzene in surfactant micelles. Chu W; Hunt JR; Jafvert CT Water Res; 2002 Feb; 36(4):843-50. PubMed ID: 11848354 [TBL] [Abstract][Full Text] [Related]
11. Ionic hydrogen-bond networks and ion solvation. 1. An efficient Monte Carlo/quantum mechanical method for structural search and energy computations: ammonium/water. Zhao YL; Meot-Ner Mautner M; Gonzalez C J Phys Chem A; 2009 Mar; 113(12):2967-74. PubMed ID: 19243164 [TBL] [Abstract][Full Text] [Related]
12. Experimental and theoretical study of the microsolvation of sodium atoms in methanol clusters: differences and similarities to sodium-water and sodium-ammonia. Dauster I; Suhm MA; Buck U; Zeuch T Phys Chem Chem Phys; 2008 Jan; 10(1):83-95. PubMed ID: 18075686 [TBL] [Abstract][Full Text] [Related]
13. A Gaussian-3X prediction on the enthalpies of formation of chlorinated phenols and dibenzo-p-dioxins. Wang L; Heard DE; Pilling MJ; Seakins P J Phys Chem A; 2008 Feb; 112(8):1832-40. PubMed ID: 18232671 [TBL] [Abstract][Full Text] [Related]
14. Photodegradation fates of cis-chlordane, trans-chlordane, and heptachlor in ethanol. Yamada S; Naito Y; Funakawa M; Nakai S; Hosomi M Chemosphere; 2008 Feb; 70(9):1669-75. PubMed ID: 17804035 [TBL] [Abstract][Full Text] [Related]
15. CL-20 photodecomposition: ab initio foundations for identification of products. Kholod Y; Kosenkov D; Okovytyy S; Gorb L; Qasim M; Leszczynski J Spectrochim Acta A Mol Biomol Spectrosc; 2008 Nov; 71(1):230-7. PubMed ID: 18262832 [TBL] [Abstract][Full Text] [Related]
16. [Photodegradation of hexachlorobenzene in the presence of known organic constituents of atmospheric aerosols]. Huang J; Yang X; Zhang ZL; Yu G Huan Jing Ke Xue; 2006 Dec; 27(12):2392-5. PubMed ID: 17304829 [TBL] [Abstract][Full Text] [Related]
17. Quantum-chemical predictions of redox potentials of carbamates in methanol. Haya L; Sayago FJ; Mainar AM; Cativiela C; Urieta JS Phys Chem Chem Phys; 2011 Oct; 13(39):17696-703. PubMed ID: 21901202 [TBL] [Abstract][Full Text] [Related]
18. The pathway of dechlorination of PCB congener by a photochemical chain process in 2-propanol: the role of medium and quenching. Izadifard M; Achari G; Langford CH Chemosphere; 2008 Nov; 73(8):1328-34. PubMed ID: 18721997 [TBL] [Abstract][Full Text] [Related]
19. Prediction of CL-20 chemical degradation pathways, theoretical and experimental evidence for dependence on competing modes of reaction. Qasim M; Fredrickson H; Honea P; Furey J; Leszczynski J; Okovytyy S; Szecsody J; Kholod Y SAR QSAR Environ Res; 2005 Oct; 16(5):495-515. PubMed ID: 16272046 [TBL] [Abstract][Full Text] [Related]
20. An improved method for assessing relative nucleophilic substitution reactivities of polychlorinated benzenes. Qiu Y; Eriksson J; Granelli L; Bergman A Chemosphere; 2009 Mar; 75(1):78-82. PubMed ID: 19152956 [TBL] [Abstract][Full Text] [Related] [Next] [New Search]