212 related articles for article (PubMed ID: 16209630)
1. Experimental detection of one case of benzene epoxidation by a peroxy radical and computational prediction of another.
Broyles DA; Carpenter BK
J Org Chem; 2005 Oct; 70(21):8642-4. PubMed ID: 16209630
[TBL] [Abstract][Full Text] [Related]
2. Computational study on the existence of organic peroxy radical-water complexes (RO2.H2O).
Clark J; English AM; Hansen JC; Francisco JS
J Phys Chem A; 2008 Feb; 112(7):1587-95. PubMed ID: 18225871
[TBL] [Abstract][Full Text] [Related]
3. An assessment of theoretical procedures for predicting the thermochemistry and kinetics of hydrogen abstraction by methyl radical from benzene.
Hemelsoet K; Moran D; Van Speybroeck V; Waroquier M; Radom L
J Phys Chem A; 2006 Jul; 110(28):8942-51. PubMed ID: 16836458
[TBL] [Abstract][Full Text] [Related]
4. Epoxidation and 1,2-dihydroxylation of alkenes by a nonheme iron model system - DFT supports the mechanism proposed by experiment.
Comba P; Rajaraman G
Inorg Chem; 2008 Jan; 47(1):78-93. PubMed ID: 18072762
[TBL] [Abstract][Full Text] [Related]
5. Reactions between aromatic hydrocarbons and heterocycles: covalent and proton-bound dimer cations of benzene/pyridine.
El-Shall MS; Ibrahim YM; Alsharaeh EH; Meot-Ner Mautner M; Watson SP
J Am Chem Soc; 2009 Jul; 131(29):10066-76. PubMed ID: 19621961
[TBL] [Abstract][Full Text] [Related]
6. Structural and rate studies of the formation of substituted benzynes.
Riggs JC; Ramirez A; Cremeens ME; Bashore CG; Candler J; Wirtz MC; Coe JW; Collum DB
J Am Chem Soc; 2008 Mar; 130(11):3406-12. PubMed ID: 18293971
[TBL] [Abstract][Full Text] [Related]
7. The structure and spectra of organic peroxy radicals.
Sharp EN; Rupper P; Miller TA
Phys Chem Chem Phys; 2008 Jul; 10(27):3955-81. PubMed ID: 18597010
[TBL] [Abstract][Full Text] [Related]
8. Molecular structure and benzene ring deformation of three cyanobenzenes from gas-phase electron diffraction and quantum chemical calculations.
Campanelli AR; Domenicano A; Ramondo F; Hargittai I
J Phys Chem A; 2008 Oct; 112(43):10998-1008. PubMed ID: 18834088
[TBL] [Abstract][Full Text] [Related]
9. Modeling mechanisms of unusual benzene imine n6 adduct formation in carcinogenic reactions of arylnitrenium ions with adenosine.
Qi SF; Yang ZZ
J Org Chem; 2007 Dec; 72(26):10058-64. PubMed ID: 18027968
[TBL] [Abstract][Full Text] [Related]
10. Hexakis(4-(N-butylpyridylium))benzene: a six-electron organic redox system.
Han Z; Vaid TP; Rheingold AL
J Org Chem; 2008 Jan; 73(2):445-50. PubMed ID: 18085793
[TBL] [Abstract][Full Text] [Related]
11. Performance of multi-configurational calculations for a 1,4-bis(phenylethynyl)benzene derivative conjugated molecule.
Sancho-García JC; Pérez-Jiménez AJ
Phys Chem Chem Phys; 2008 May; 10(17):2308-15. PubMed ID: 18414722
[TBL] [Abstract][Full Text] [Related]
12. Characterization and quantification of cysteinyl adducts of benzene diol epoxide.
Waidyanatha S; Sangaiah R; Rappaport SM
Chem Res Toxicol; 2005 Jul; 18(7):1178-85. PubMed ID: 16022511
[TBL] [Abstract][Full Text] [Related]
13. Intramolecular arene hydroxylation versus intermolecular olefin epoxidation by (mu-eta2:eta2-peroxo)dicopper(II) complex supported by dinucleating ligand.
Matsumoto T; Furutachi H; Kobino M; Tomii M; Nagatomo S; Tosha T; Osako T; Fujinami S; Itoh S; Kitagawa T; Suzuki M
J Am Chem Soc; 2006 Mar; 128(12):3874-5. PubMed ID: 16551071
[TBL] [Abstract][Full Text] [Related]
14. Investigation of the mechanism of the intramolecular Scholl reaction of contiguous phenylbenzenes.
Rempala P; Kroulík J; King BT
J Org Chem; 2006 Jul; 71(14):5067-81. PubMed ID: 16808493
[TBL] [Abstract][Full Text] [Related]
15. Reaction mechanism of apocarotenoid oxygenase (ACO): a DFT study.
Borowski T; Blomberg MR; Siegbahn PE
Chemistry; 2008; 14(7):2264-76. PubMed ID: 18181127
[TBL] [Abstract][Full Text] [Related]
16. Toluene combustion: reaction paths, thermochemical properties, and kinetic analysis for the methylphenyl radical + O2 reaction.
da Silva G; Chen CC; Bozzelli JW
J Phys Chem A; 2007 Sep; 111(35):8663-76. PubMed ID: 17696501
[TBL] [Abstract][Full Text] [Related]
17. Organic carbonates: experiment and ab initio calculations for prediction of thermochemical properties.
Verevkin SP; Emel'yanenko VN; Kozlova SA
J Phys Chem A; 2008 Oct; 112(42):10667-73. PubMed ID: 18826197
[TBL] [Abstract][Full Text] [Related]
18. Local and density fitting approximations within the short-range/long-range hybrid scheme: application to large non-bonded complexes.
Goll E; Leininger T; Manby FR; Mitrushchenkov A; Werner HJ; Stoll H
Phys Chem Chem Phys; 2008 Jun; 10(23):3353-7. PubMed ID: 18535717
[TBL] [Abstract][Full Text] [Related]
19. The role of asynchronous bond formation in the diastereoselective epoxidation of cyclic enol ethers: a density functional theory study.
Orendt AM; Roberts SW; Rainier JD
J Org Chem; 2006 Jul; 71(15):5565-73. PubMed ID: 16839135
[TBL] [Abstract][Full Text] [Related]
20. Experimental (13C NMR) and theoretical (ab initio molecular orbital calculations) studies on the prototropic tautomerism of benzotriazole and some derivatives symmetrically substituted on the benzene ring.
Poznański J; Najda A; Bretner M; Shugar D
J Phys Chem A; 2007 Jul; 111(28):6501-9. PubMed ID: 17585743
[TBL] [Abstract][Full Text] [Related]
[Next] [New Search]