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Items: 1 to 20 of 119

1.

Theoretical studies on gas-phase reactions of sulfuric acid catalyzed hydrolysis of formaldehyde and formaldehyde with sulfuric acid and H2SO4···H2O complex.

Long B, Tan XF, Chang CR, Zhao WX, Long ZW, Ren DS, Zhang WJ.

J Phys Chem A. 2013 Jun 20;117(24):5106-16. doi: 10.1021/jp312844z. Epub 2013 Jun 5.

PMID:
23701044
2.

Theoretical study on the gas phase reaction of sulfuric acid with hydroxyl radical in the presence of water.

Long B, Zhang WJ, Tan XF, Long ZW, Wang YB, Ren DS.

J Phys Chem A. 2011 Mar 3;115(8):1350-7. doi: 10.1021/jp107550w. Epub 2011 Feb 8.

PMID:
21302904
3.

Formic acid catalyzed gas-phase reaction of H2O with SO3 and the reverse reaction: a theoretical study.

Long B, Long ZW, Wang YB, Tan XF, Han YH, Long CY, Qin SJ, Zhang WJ.

Chemphyschem. 2012 Jan 16;13(1):323-9. doi: 10.1002/cphc.201100558. Epub 2011 Nov 16.

PMID:
22095771
4.

Theoretical studies on reactions of the stabilized H2COO with HO2 and the HO2···H2O complex.

Long B, Tan XF, Long ZW, Wang YB, Ren DS, Zhang WJ.

J Phys Chem A. 2011 Jun 23;115(24):6559-67. doi: 10.1021/jp200729q. Epub 2011 May 20.

PMID:
21598911
5.

Hydrolysis of Sulfur Dioxide in Small Clusters of Sulfuric Acid: Mechanistic and Kinetic Study.

Liu J, Fang S, Wang Z, Yi W, Tao FM, Liu JY.

Environ Sci Technol. 2015 Nov 17;49(22):13112-20. doi: 10.1021/acs.est.5b02977. Epub 2015 Oct 26.

PMID:
26450714
6.

Formic acid catalyzed hydrolysis of SO3 in the gas phase: a barrierless mechanism for sulfuric acid production of potential atmospheric importance.

Hazra MK, Sinha A.

J Am Chem Soc. 2011 Nov 2;133(43):17444-53. doi: 10.1021/ja207393v. Epub 2011 Oct 12.

PMID:
21932843
7.

Impact of OH Radical-Initiated H2CO3 Degradation in the Earth's Atmosphere via Proton-Coupled Electron Transfer Mechanism.

Ghoshal S, Hazra MK.

J Phys Chem A. 2016 Feb 4;120(4):562-75. doi: 10.1021/acs.jpca.5b08805. Epub 2016 Jan 20.

PMID:
26731551
8.

Theoretical study of the gas-phase reactions of iodine atoms ((2)P(3/2)) with H(2), H(2)O, HI, and OH.

Canneaux S, Xerri B, Louis F, Cantrel L.

J Phys Chem A. 2010 Sep 2;114(34):9270-88. doi: 10.1021/jp104163t.

PMID:
20672845
9.

Interaction of glycine with common atmospheric nucleation precursors.

Elm J, Fard M, Bilde M, Mikkelsen KV.

J Phys Chem A. 2013 Dec 5;117(48):12990-7. doi: 10.1021/jp408962c. Epub 2013 Nov 20.

PMID:
24191651
11.

Influence of nucleation precursors on the reaction kinetics of methanol with the OH radical.

Elm J, Bilde M, Mikkelsen KV.

J Phys Chem A. 2013 Aug 1;117(30):6695-701. doi: 10.1021/jp4051269. Epub 2013 Jul 19.

PMID:
23837617
12.

Gas phase hydrolysis of formaldehyde to form methanediol: impact of formic acid catalysis.

Hazra MK, Francisco JS, Sinha A.

J Phys Chem A. 2013 Nov 21;117(46):11704-10. doi: 10.1021/jp4008043. Epub 2013 Apr 24.

PMID:
23614454
13.

Ab initio and density functional theory reinvestigation of gas-phase sulfuric acid monohydrate and ammonium hydrogen sulfate.

Kurtén T, Sundberg MR, Vehkamäki H, Noppel M, Blomqvist J, Kulmala M.

J Phys Chem A. 2006 Jun 8;110(22):7178-88.

PMID:
16737269
14.

A multi-level quantum mechanics and molecular mechanics study of SN2 reaction at nitrogen: NH2Cl + OH(-) in aqueous solution.

Lv J, Zhang J, Wang D.

Phys Chem Chem Phys. 2016 Feb 17;18(8):6146-52. doi: 10.1039/c5cp07370g.

PMID:
26847380
15.

Catalytic effect of water, formic acid, or sulfuric acid on the reaction of formaldehyde with OH radicals.

Zhang W, Du B, Qin Z.

J Phys Chem A. 2014 Jul 3;118(26):4797-807. doi: 10.1021/jp502886p. Epub 2014 Jun 23.

PMID:
24927334
16.

A quantum chemistry study of the Cl atom reaction with formaldehyde.

Gruber-Stadler M, Mühlhäuser M, Sellevåg SR, Nielsen CJ.

J Phys Chem A. 2008 Jan 10;112(1):9-22. Epub 2007 Dec 11.

PMID:
18069803
17.

H2O-H2SO4 system in Venus' clouds and OCS, CO, and H2SO4 profiles in Venus' troposphere.

Krasnopolsky VA, Pollack JB.

Icarus. 1994 May;109(1):58-78.

PMID:
11539137
18.

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
19.

Mechanism for the gas-phase reaction between formaldehyde and hydroperoxyl radical. A theoretical study.

Anglada JM, Domingo VM.

J Phys Chem A. 2005 Dec 1;109(47):10786-94.

PMID:
16863128
20.

Ab initio investigation on the reaction path and rate for the gas-phase reaction of HO + H2O <--> H2O + OH.

Uchimaru T, Chandra AK, Tsuzuki S, Sugie M, Sekiya A.

J Comput Chem. 2003 Oct;24(13):1538-48.

PMID:
12925998
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