These tools will no longer be maintained as of December 31, 2024. Archived website can be found here. PubMed4Hh GitHub repository can be found here. Contact NLM Customer Service if you have questions.
643 related articles for article (PubMed ID: 17683127)
1. Insights into mechanistic photodissociation of acetyl chloride by ab initio calculations and molecular dynamics simulations. Chen SL; Fang WH J Phys Chem A; 2007 Sep; 111(38):9355-61. PubMed ID: 17683127 [TBL] [Abstract][Full Text] [Related]
2. Insights into photodissociation dynamics of propionyl chloride from ab initio calculations and molecular dynamics simulations. Chen SL; Fang WH J Phys Chem A; 2006 Jan; 110(3):944-50. PubMed ID: 16419994 [TBL] [Abstract][Full Text] [Related]
3. Probing mechanistic photochemistry of glyoxal in the gas phase by ab initio calculations of potential-energy surfaces and adiabatic and nonadiabatic rates. Li QS; Zhang F; Fang WH; Yu JG J Chem Phys; 2006 Feb; 124(5):054324. PubMed ID: 16468886 [TBL] [Abstract][Full Text] [Related]
4. Insights into photodissociation dynamics of acetaldehyde from ab initio calculations and molecular dynamics simulations. Chen S; Fang WH J Chem Phys; 2009 Aug; 131(5):054306. PubMed ID: 19673561 [TBL] [Abstract][Full Text] [Related]
5. Nonadiabatic effects in C-Br bond scission in the photodissociation of bromoacetyl chloride. Valero R; Truhlar DG J Chem Phys; 2006 Nov; 125(19):194305. PubMed ID: 17129101 [TBL] [Abstract][Full Text] [Related]
6. Photodissociation pathways of 1,1-dichloroacetone. Krisch MJ; Bell MJ; Fitzpatrick BL; McCunn LR; Lau KC; Liu Y; Butler LJ J Phys Chem A; 2007 Jul; 111(27):5968-80. PubMed ID: 17571861 [TBL] [Abstract][Full Text] [Related]
7. Combined nonadiabatic transition-state theory and ab initio molecular dynamics study on selectivity of the alpha and beta bond fissions in photodissociation of bromoacetyl chloride. Zhang F; Ding WJ; Fang WH J Chem Phys; 2006 Nov; 125(18):184305. PubMed ID: 17115750 [TBL] [Abstract][Full Text] [Related]
8. Photodissociation of CH3Cl, C2H5Cl, and C6H5Cl on the Ag(111) surface: ab initio embedded cluster and configuration interaction study. Kokh DB; Liebermann HP; Buenker RJ J Chem Phys; 2010 Feb; 132(7):074707. PubMed ID: 20170244 [TBL] [Abstract][Full Text] [Related]
9. Cl-loss and H-loss dissociations in low-lying electronic states of the CH3Cl+ ion studied using multiconfiguration second-order perturbation theory. Xi HW; Huang MB; Chen BZ; Li WZ J Phys Chem A; 2005 May; 109(19):4381-7. PubMed ID: 16833769 [TBL] [Abstract][Full Text] [Related]
10. Experimental and theoretical study of the photodissociation reaction of thiophenol at 243 nm: intramolecular orbital alignment of the phenylthiyl radical. Lim IS; Lim JS; Lee YS; Kim SK J Chem Phys; 2007 Jan; 126(3):034306. PubMed ID: 17249870 [TBL] [Abstract][Full Text] [Related]
11. Photodissociation of phosgene: Theoretical evidence for the ultrafast and synchronous concerted three-body process. Fang Q; Zhang F; Shen L; Fang WH; Luo Y J Chem Phys; 2009 Oct; 131(16):164306. PubMed ID: 19894946 [TBL] [Abstract][Full Text] [Related]
12. Probing photophysical and photochemical processes of benzoic acid from ab initio calculations. Li J; Zhang F; Fang WH J Phys Chem A; 2005 Sep; 109(34):7718-24. PubMed ID: 16834147 [TBL] [Abstract][Full Text] [Related]
13. Insights into the photochemical processes of ClC(O)SCl from ab initio calculations. Lin L; Ding WJ; Fang WH; Liu RZ J Phys Chem A; 2006 Jul; 110(28):8744-9. PubMed ID: 16836436 [TBL] [Abstract][Full Text] [Related]
14. Striving to understand the photophysics and photochemistry of thiophosgene: a combined CASSCF and MR-CI study. Lin L; Zhang F; Ding WJ; Fang WH; Liu RZ J Phys Chem A; 2005 Feb; 109(4):554-61. PubMed ID: 16833379 [TBL] [Abstract][Full Text] [Related]
15. Dynamics of Cl (2Pj) atom formation in the photodissociation of fumaryl chloride (ClCO - CH = CH - COCl) at 235 nm: a resonance enhanced multiphoton ionization (REMPI) time-of-flight (TOF) study. Kawade M; Saha A; Upadhyaya HP; Kumar A; Naik PD; Bajaj PN J Phys Chem A; 2011 Mar; 115(9):1538-46. PubMed ID: 21322536 [TBL] [Abstract][Full Text] [Related]
16. Insights into dynamics of the S2 state of thiophosgene from ab initio calculations. Zhang F; Lin L; Fang WH J Chem Phys; 2004 Oct; 121(14):6830-4. PubMed ID: 15473740 [TBL] [Abstract][Full Text] [Related]
17. Determining the CH3SO2 --> CH3 + SO2 barrier from methylsulfonyl chloride photodissociation at 193 nm using velocity map imaging. Ratliff BJ; Tang X; Butler LJ; Szpunar DE; Lau KC J Chem Phys; 2009 Jul; 131(4):044304. PubMed ID: 19655864 [TBL] [Abstract][Full Text] [Related]
18. Conformational structure of gaseous 3-chloropropanoyl chloride by electron diffraction, normal coordinate analysis, and ab initio molecular orbital, and density functional theory calculations. Johansen TH; Hagen K J Phys Chem A; 2006 Sep; 110(38):11136-44. PubMed ID: 16986848 [TBL] [Abstract][Full Text] [Related]
19. Collision energy dependence of the O(1D) + HCl --> OH + Cl(2P) reaction studied by crossed beam scattering and quasiclassical trajectory calculations on ab initio potential energy surfaces. Kohguchi H; Suzuki T; Nanbu S; Ishida T; Mil'nikov GV; Oloyede P; Nakamura H J Phys Chem A; 2008 Feb; 112(5):818-25. PubMed ID: 18189375 [TBL] [Abstract][Full Text] [Related]
20. An ab initio/RRKM study of product branching ratios in the photodissociation of buta-1,2- and -1,3-dienes and but-2-yne at 193 nm. Lee HY; Kislov VV; Lin SH; Mebel AM; Neumark DM Chemistry; 2003 Feb; 9(3):726-40. PubMed ID: 12569465 [TBL] [Abstract][Full Text] [Related] [Next] [New Search]