98 related articles for article (PubMed ID: 20085262)
1. Mechanism of aqueous-phase ozonation of S(IV).
Kahan TF; Ardura D; Donaldson DJ
J Phys Chem A; 2010 Feb; 114(5):2164-70. PubMed ID: 20085262
[TBL] [Abstract][Full Text] [Related]
2. Reversal of the relative stability of the isomeric radicals HSO and HOS upon hydration and their reactions with ozone.
Steudel R; Steudel Y
J Phys Chem A; 2010 Apr; 114(12):4437-45. PubMed ID: 20218592
[TBL] [Abstract][Full Text] [Related]
3. Mechanism of the hydration of carbon dioxide: direct participation of H2O versus microsolvation.
Nguyen MT; Matus MH; Jackson VE; Vu TN; Rustad JR; Dixon DA
J Phys Chem A; 2008 Oct; 112(41):10386-98. PubMed ID: 18816037
[TBL] [Abstract][Full Text] [Related]
4. Mechanistic aspects of propene epoxidation by hydrogen peroxide. Catalytic role of water molecules, external electric field, and zeolite framework of TS-1.
Stare J; Henson NJ; Eckert J
J Chem Inf Model; 2009 Apr; 49(4):833-46. PubMed ID: 19267473
[TBL] [Abstract][Full Text] [Related]
5. Hemiortho esters and hydrotrioxides as the primary products in the low-temperature ozonation of cyclic acetals: an experimental and theoretical investigation.
Tuttle T; Cerkovnik J; Plesnicar B; Cremer D
J Am Chem Soc; 2004 Dec; 126(49):16093-104. PubMed ID: 15584745
[TBL] [Abstract][Full Text] [Related]
6. Sulfur X-ray absorption and vibrational spectroscopic study of sulfur dioxide, sulfite, and sulfonate solutions and of the substituted sulfonate ions X3CSO3- (X = H, Cl, F).
Risberg ED; Eriksson L; Mink J; Pettersson LG; Skripkin MY; Sandström M
Inorg Chem; 2007 Oct; 46(20):8332-48. PubMed ID: 17784748
[TBL] [Abstract][Full Text] [Related]
7. Derivatives of cysteine related to the thiosulfate metabolism of sulfur bacteria by the multi-enzyme complex "Sox"-studied by B3LYP-PCM and G3X(MP2) calculations.
Steudel R; Steudel Y
Phys Chem Chem Phys; 2010 Jan; 12(3):630-44. PubMed ID: 20066349
[TBL] [Abstract][Full Text] [Related]
8. Mechanism of the divanadium-substituted polyoxotungstate [gamma-1,2-H2SiV2W10O40]4- catalyzed olefin epoxidation by H2O2: a computational study.
Kuznetsov AE; Geletii YV; Hill CL; Morokuma K; Musaev DG
Inorg Chem; 2009 Mar; 48(5):1871-8. PubMed ID: 19235950
[TBL] [Abstract][Full Text] [Related]
9. Chemo- and periselectivity in the addition of [OsO2(CH2)2] to ethylene: a theoretical study.
Hölscher M; Leitner W; Holthausen MC; Frenking G
Chemistry; 2005 Aug; 11(16):4700-8. PubMed ID: 15915524
[TBL] [Abstract][Full Text] [Related]
10. On the mechanisms of oxidation of organic sulfides by H2O2 in aqueous solutions.
Chu JW; Trout BL
J Am Chem Soc; 2004 Jan; 126(3):900-8. PubMed ID: 14733566
[TBL] [Abstract][Full Text] [Related]
11. Microsolvation of thiosulfuric acid and its tautomeric anions [HSSO(3)](-) and [SSO(2)(OH)](-) studied by B3LYP-PCM and G3X(MP2) calculations.
Steudel R; Steudel Y
J Phys Chem A; 2009 Sep; 113(36):9920-33. PubMed ID: 19685866
[TBL] [Abstract][Full Text] [Related]
12. Density functional theory applied to a difference in pathways taken by the enzymes cytochrome P450 and superoxide reductase: spin States of ferric hydroperoxo intermediates and hydrogen bonds from water.
Surawatanawong P; Tye JW; Hall MB
Inorg Chem; 2010 Jan; 49(1):188-98. PubMed ID: 19968237
[TBL] [Abstract][Full Text] [Related]
13. Reaction mechanism and tautomeric equilibrium of 2-mercaptopyrimidine in the gas phase and in aqueous solution: a combined Monte Carlo and quantum mechanics study.
Lima MC; Coutinho K; Canuto S; Rocha WR
J Phys Chem A; 2006 Jun; 110(22):7253-61. PubMed ID: 16737277
[TBL] [Abstract][Full Text] [Related]
14. Kinetics of triclosan oxidation by aqueous ozone and consequent loss of antibacterial activity: relevance to municipal wastewater ozonation.
Suarez S; Dodd MC; Omil F; von Gunten U
Water Res; 2007 Jun; 41(12):2481-90. PubMed ID: 17467034
[TBL] [Abstract][Full Text] [Related]
15. Density functional theory study on carbon dioxide absorption into aqueous solutions of 2-amino-2-methyl-1-propanol using a continuum solvation model.
Yamada H; Matsuzaki Y; Higashii T; Kazama S
J Phys Chem A; 2011 Apr; 115(14):3079-86. PubMed ID: 21413768
[TBL] [Abstract][Full Text] [Related]
16. Mechanisms of the reactions of W AND W+ with H2O: computational studies.
Musaev DG; Xu S; Irle S; Lin MC
J Phys Chem A; 2006 Apr; 110(13):4495-501. PubMed ID: 16571055
[TBL] [Abstract][Full Text] [Related]
17. Cooperativity in Al3+ hydrolysis reactions from density functional theory calculations.
Bogatko S; Moens J; Geerlings P
J Phys Chem A; 2010 Jul; 114(29):7791-9. PubMed ID: 20597555
[TBL] [Abstract][Full Text] [Related]
18. Oxidation of methanol by FeO2+ in water: DFT calculations in the gas phase and ab initio MD simulations in water solution.
Louwerse MJ; Vassilev P; Baerends EJ
J Phys Chem A; 2008 Feb; 112(5):1000-12. PubMed ID: 18197642
[TBL] [Abstract][Full Text] [Related]
19. Unveiling formation mechanism of carcinogenic N-nitrosodimethylamine in ozonation of dimethylamine: a density functional theoretical investigation.
Zhang S; Yu G; Chen J; Wang B; Huang J; Deng S
J Hazard Mater; 2014 Aug; 279():330-5. PubMed ID: 25072138
[TBL] [Abstract][Full Text] [Related]
20. Quantum chemical study of adsorption and dissociation of H2S on the gallium-rich GaAs (001)-4 x 2 surface.
Lu HL; Chen W; Ding SJ; Xu M; Zhang DW; Wang LK
J Phys Chem B; 2006 May; 110(19):9529-33. PubMed ID: 16686499
[TBL] [Abstract][Full Text] [Related]
[Next] [New Search]