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Items: 1 to 20 of 517

1.

Gas-phase kinetics study of reaction of OH radical with CH3NHNH2 by second-order multireference perturbation theory.

Sun H, Zhang P, Law CK.

J Phys Chem A. 2012 May 31;116(21):5045-56. doi: 10.1021/jp3021529. Epub 2012 May 16.

PMID:
22545789
2.

Ab initio kinetics for thermal decomposition of CH3N•NH2, cis-CH3NHN•H, trans-CH3NHN•H, and C•H2NNH2 radicals.

Sun H, Zhang P, Law CK.

J Phys Chem A. 2012 Aug 23;116(33):8419-30. doi: 10.1021/jp3045675. Epub 2012 Aug 13.

PMID:
22813206
3.

Rate constants for the thermal decomposition of ethanol and its bimolecular reactions with OH and D: reflected shock tube and theoretical studies.

Sivaramakrishnan R, Su MC, Michael JV, Klippenstein SJ, Harding LB, Ruscic B.

J Phys Chem A. 2010 Sep 9;114(35):9425-39. doi: 10.1021/jp104759d.

PMID:
20715882
4.

Pulsed laser photolysis and quantum chemical-statistical rate study of the reaction of the ethynyl radical with water vapor.

Carl SA, Nguyen HM, Elsamra RM, Nguyen MT, Peeters J.

J Chem Phys. 2005 Mar 15;122(11):114307.

PMID:
15836215
5.

Kinetics of hydrogen abstraction reactions of butene isomers by OH radical.

Sun H, Law CK.

J Phys Chem A. 2010 Nov 18;114(45):12088-98. doi: 10.1021/jp1062786. Epub 2010 Oct 26.

PMID:
20977273
6.

CH3NHNH2 + OH reaction: mechanism and dynamics studies.

Liu HX, Wang Y, Yang L, Liu JY, Gao H, Li ZS, Sun CC.

J Comput Chem. 2009 Nov 15;30(14):2194-204. doi: 10.1002/jcc.21228.

PMID:
19242961
7.

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
9.

Theoretical and kinetic study of the reaction of ethyl methyl ketone with HO2 for T = 600-1600 K. Part II: addition reaction channels.

Zhou CW, Mendes J, Curran HJ.

J Phys Chem A. 2013 Jun 6;117(22):4526-33. doi: 10.1021/jp3128127. Epub 2013 May 22.

PMID:
23590522
10.
11.

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
12.

Theoretical investigation of the reactions of CF(3)CHFOCF(3) with the OH radical and Cl atom.

Jia X, Liu Y, Sun J, Sun H, Su Z, Pan X, Wang R.

J Phys Chem A. 2010 Jan 14;114(1):417-24. doi: 10.1021/jp908228h.

PMID:
19950919
13.

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 16;112(41):10386-98. doi: 10.1021/jp804715j. Epub 2008 Sep 25.

PMID:
18816037
14.

Abstraction kinetics of H-atom by OH radical from pinonaldehyde (C10H16O2): ab initio and transition-state theory calculations.

Dash MR, Rajakumar B.

J Phys Chem A. 2012 Jun 21;116(24):5856-66. doi: 10.1021/jp209208e. Epub 2012 Mar 21.

PMID:
22356198
15.

An ab initio/rice--Ramsperger--Kassel--Marcus study of the reactions of propenols with OH. Mechanism and kinetics of H abstraction channels.

Zhou CW, Mebel AM, Li XY.

J Phys Chem A. 2009 Oct 8;113(40):10667-77. doi: 10.1021/jp903103s.

PMID:
19746962
16.

Kinetics of gas-phase reaction of OH with morpholine: an experimental and theoretical study.

SenGupta S, Indulkar Y, Kumar A, Dhanya S, Naik PD, Bajaj PN.

J Phys Chem A. 2010 Jul 29;114(29):7709-15. doi: 10.1021/jp101464x.

PMID:
20593819
17.
18.

Atmospheric reactions of (H)- and (D)-fluoroalcohols with chlorine atoms.

Garzón A, Moral M, Notario A, Ceacero-Vega AA, Fernández-Gómez M, Albaladejo J.

Chemphyschem. 2010 Feb 1;11(2):442-51. doi: 10.1002/cphc.200900485.

PMID:
20049762
19.

Reaction kinetics of hydrogen abstraction reactions by hydroperoxyl radical from 2-methyltetrahydrofuran and 2,5-dimethyltetrahydrofuran.

Chakravarty HK, Fernandes RX.

J Phys Chem A. 2013 Jun 20;117(24):5028-41. doi: 10.1021/jp402801c. Epub 2013 Jun 11.

PMID:
23713783
20.

Hydroxyl radical reactions with adenine: reactant complexes, transition states, and product complexes.

Cheng Q, Gu J, Compaan KR, Schaefer HF 3rd.

Chemistry. 2010 Oct 18;16(39):11848-58. doi: 10.1002/chem.201001236.

PMID:
20878802

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