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Results: 1 to 20 of 110

Similar articles for PubMed (Select 21904724)

1.

Controlling the action of chlorine radical: from lab to environment.

Croft AK, Howard-Jones HM, Skates CE, Wood CC.

Org Biomol Chem. 2011 Nov 7;9(21):7439-47. doi: 10.1039/c1ob00001b. Epub 2011 Sep 8.

PMID:
21904724
2.

Atmospheric chemistry of HFE-7000 (CF(3)CF (2)CF (2)OCH (3)) and 2,2,3,3,4,4,4-heptafluoro-1-butanol (CF (3)CF (2)CF (2)CH (2)OH): kinetic rate coefficients and temperature dependence of reactions with chlorine atoms.

Díaz-de-Mera Y, Aranda A, Bravo I, Rodríguez D, Rodríguez A, Moreno E.

Environ Sci Pollut Res Int. 2008 Oct;15(7):584-91. doi: 10.1007/s11356-008-0030-3. Epub 2008 Aug 19.

PMID:
18712424
3.

Should contemporary density functional theory methods be used to study the thermodynamics of radical reactions?

Izgorodina EI, Brittain DR, Hodgson JL, Krenske EH, Lin CY, Namazian M, Coote ML.

J Phys Chem A. 2007 Oct 25;111(42):10754-68. Epub 2007 Sep 22.

PMID:
17887739
4.

Theoretical dynamic studies on the reactions of CH3C(O)CH3-nCl(n) (n = 0-3) with the chlorine atom.

Ji YM, Zhao XL, Liu JY, Wang Y, Li ZS.

J Comput Chem. 2008 Apr 15;29(5):809-19.

PMID:
17894372
5.

Radiation and quantum chemical studies of chalcone derivatives.

Gaikwad P, Priyadarsini KI, Naumov S, Rao BS.

J Phys Chem A. 2010 Aug 5;114(30):7877-85. doi: 10.1021/jp103382x.

PMID:
20617801
6.

A comparison of methods for measuring relative radical stabilities of carbon-centred radicals.

Coote ML, Lin CY, Beckwith AL, Zavitsas AA.

Phys Chem Chem Phys. 2010 Sep 7;12(33):9597-610. doi: 10.1039/c003880f. Epub 2010 Jun 16.

PMID:
20556274
7.

Reactions between atomic chlorine and pyridine in solid para-hydrogen: infrared spectrum of the 1-chloropyridinyl (C5H5N-Cl) radical.

Das P, Bahou M, Lee YP.

J Chem Phys. 2013 Feb 7;138(5):054307. doi: 10.1063/1.4789407.

PMID:
23406119
8.

A DFT study on the mechanism of a novel, regioselective, intramolecular N-pi rearrangement of cis and trans-eta1-N-Cp*Rh-hydroxytamoxifen complexes to their eta6 derivatives; potential breast cancer pharmaceuticals, and fluorescent probes.

Efremenko I, Top S, Martin JM, Fish RH.

Dalton Trans. 2009 Jun 14;(22):4334-43. doi: 10.1039/b819474b. Epub 2009 Feb 25. Erratum in: Dalton Trans. 2009 Jun 14;(22):4379.

PMID:
19662311
9.

Comparison of aromatic NH···π, OH···π, and CH···π interactions of alanine using MP2, CCSD, and DFT methods.

Mohan N, Vijayalakshmi KP, Koga N, Suresh CH.

J Comput Chem. 2010 Dec;31(16):2874-82. doi: 10.1002/jcc.21582.

PMID:
20928850
10.

Ylidic radical-molecule reactions.

Xie HB, Ding YH, Sun CC.

J Comput Chem. 2006 Apr 15;27(5):545-51.

PMID:
16463370
11.

The Cl-initiated oxidation of CH(3)C(O)OCH=CH (2), CH (3)C(O)OCH (2)CH=CH (2), and CH (2)=CHC(O)O(CH (2)) (3)CH (3) in the troposphere.

Blanco MB, Bejan I, Barnes I, Wiesen P, Teruel MA.

Environ Sci Pollut Res Int. 2009 Sep;16(6):641-8. doi: 10.1007/s11356-008-0096-y. Epub 2009 Jan 9.

PMID:
19132428
13.

Magnitude and directionality of the interaction energy of the aliphatic CH/pi interaction: significant difference from hydrogen bond.

Tsuzuki S, Honda K, Uchimaru T, Mikami M, Fujii A.

J Phys Chem A. 2006 Aug 24;110(33):10163-8.

PMID:
16913692
14.

Density functional theory study of hydrogen atom abstraction from a series of para-substituted phenols: why is the Hammett σ(p)+ constant able to represent radical reaction rates?

Yoshida T, Hirozumi K, Harada M, Hitaoka S, Chuman H.

J Org Chem. 2011 Jun 3;76(11):4564-70. doi: 10.1021/jo200450p. Epub 2011 May 2.

PMID:
21500806
15.

Isomerization of neopentyl chloride and neopentyl bromide by a 1,2-interchange of a halogen atom and a methyl group.

Lisowski CE, Duncan JR, Ranieri AJ, Heard GL, Setser DW, Holmes BE.

J Phys Chem A. 2010 Sep 30;114(38):10395-402. doi: 10.1021/jp1047166.

PMID:
20809644
16.

Atmospheric chemistry of two biodiesel model compounds: methyl propionate and ethyl acetate.

Andersen VF, Berhanu TA, Nilsson EJ, Jørgensen S, Nielsen OJ, Wallington TJ, Johnson MS.

J Phys Chem A. 2011 Aug 18;115(32):8906-19. doi: 10.1021/jp204819d. Epub 2011 Jul 28.

PMID:
21797203
17.

Free radicals in L-arginine x HCl x H2O single crystals X-irradiated at 66K- EPR, ENDOR, EIE and DFT studies.

Zhou Y, Nelson WH.

J Phys Chem B. 2010 Apr 29;114(16):5567-82. doi: 10.1021/jp911943n.

PMID:
20364864
18.

Theoretical study of the formation of naphthalene from the radical/π-bond addition between single-ring aromatic hydrocarbons.

Comandini A, Brezinsky K.

J Phys Chem A. 2011 Jun 9;115(22):5547-59. doi: 10.1021/jp200201c. Epub 2011 May 10.

PMID:
21557589
19.

Radical/π-bond addition between o-benzyne and cyclic C5 hydrocarbons.

Comandini A, Brezinsky K.

J Phys Chem A. 2012 Feb 2;116(4):1183-90. doi: 10.1021/jp208368a. Epub 2012 Jan 19.

PMID:
22214520
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