229 related articles for article (PubMed ID: 21509396)
1. An equilibrium ab initio atomistic thermodynamics study of chlorine adsorption on the Cu(001) surface.
Suleiman IA; Radny MW; Gladys MJ; Smith PV; Mackie JC; Kennedy EM; Dlugogorski BZ
Phys Chem Chem Phys; 2011 Jun; 13(21):10306-11. PubMed ID: 21509396
[TBL] [Abstract][Full Text] [Related]
2. Kinetics, mechanism, and thermochemistry of the gas-phase reaction of atomic chlorine with pyridine.
Zhao Z; Huskey DT; Olsen KJ; Nicovich JM; McKee ML; Wine PH
Phys Chem Chem Phys; 2007 Aug; 9(31):4383-94. PubMed ID: 17687485
[TBL] [Abstract][Full Text] [Related]
3. Surface structure and phase transition of K adsorption on Au(111): by ab initio atomistic thermodynamics.
Gan LY; Tian RY; Yang XB; Zhao YJ
J Chem Phys; 2012 Jan; 136(4):044510. PubMed ID: 22299894
[TBL] [Abstract][Full Text] [Related]
4. Thermodynamic stability and structure of cuprous chloride surfaces: a DFT investigation.
Suleiman IA; Radny MW; Gladys MJ; Smith PV; Mackie JC; Kennedy EM; Dlugogorski BZ
Phys Chem Chem Phys; 2015 Mar; 17(10):7038-45. PubMed ID: 25687716
[TBL] [Abstract][Full Text] [Related]
5. Water adsorption on the stoichiometric and reduced CeO2(111) surface: a first-principles investigation.
Fronzi M; Piccinin S; Delley B; Traversa E; Stampfl C
Phys Chem Chem Phys; 2009 Oct; 11(40):9188-99. PubMed ID: 19812840
[TBL] [Abstract][Full Text] [Related]
6. [CuCl3]- and [CuCl4]2- hydrates in concentrated aqueous solution: a density functional theory and ab initio study.
Yi HB; Xia FF; Zhou Q; Zeng D
J Phys Chem A; 2011 May; 115(17):4416-26. PubMed ID: 21462945
[TBL] [Abstract][Full Text] [Related]
7. Adsorption of atomic and molecular oxygen on the LaMnO3(001) surface: ab initio supercell calculations and thermodynamics.
Kotomin EA; Mastrikov YA; Heifets E; Maier J
Phys Chem Chem Phys; 2008 Aug; 10(31):4644-9. PubMed ID: 18665314
[TBL] [Abstract][Full Text] [Related]
8. Adsorption of atoms on cu surfaces: a density functional theory study.
Pang XY; Xue LQ; Wang GC
Langmuir; 2007 Apr; 23(9):4910-7. PubMed ID: 17388612
[TBL] [Abstract][Full Text] [Related]
9. Lifting of Ir{100} reconstruction by CO adsorption: an ab initio study.
Ghosh P; Narasimhan S; Jenkins SJ; King DA
J Chem Phys; 2007 Jun; 126(24):244701. PubMed ID: 17614571
[TBL] [Abstract][Full Text] [Related]
10. New insight brought by density functional theory on the chemical state of alaninol on Cu(100): energetics and interpretation of x-ray photoelectron spectroscopy data.
Irrera S; Costa D
J Chem Phys; 2008 Mar; 128(11):114709. PubMed ID: 18361603
[TBL] [Abstract][Full Text] [Related]
11. Multilayer adsorption of water at a rutile TiO2)(110) surface: towards a realistic modeling by molecular dynamics.
Kornherr A; Vogtenhuber D; Ruckenbauer M; Podloucky R; Zifferer G
J Chem Phys; 2004 Aug; 121(8):3722-6. PubMed ID: 15303939
[TBL] [Abstract][Full Text] [Related]
12. Atomic hydrogen adsorption and incipient hydrogenation of the Mg(0001) surface: a density-functional theory study.
Li Y; Zhang P; Sun B; Yang Y; Wei Y
J Chem Phys; 2009 Jul; 131(3):034706. PubMed ID: 19624220
[TBL] [Abstract][Full Text] [Related]
13. A kinetic investigation of high-temperature mercury oxidation by chlorine.
Wilcox J
J Phys Chem A; 2009 Jun; 113(24):6633-9. PubMed ID: 19469508
[TBL] [Abstract][Full Text] [Related]
14. The structures and thermodynamic stability of copper(II) chloride surfaces.
Altarawneh M; Jiang ZT; Dlugogorski BZ
Phys Chem Chem Phys; 2014 Nov; 16(44):24209-15. PubMed ID: 25294121
[TBL] [Abstract][Full Text] [Related]
15. Low coverage spontaneous etching and hyperthermal desorption of aluminum chlorides from Cl2/Al(111).
Grassman TJ; Poon GC; Kummel AC
J Chem Phys; 2004 Nov; 121(18):9018-30. PubMed ID: 15527367
[TBL] [Abstract][Full Text] [Related]
16. Kinetic and theoretical study of the reaction of Cl atoms with a series of linear thiols.
Garzón A; Albaladejo J; Notario A; Peña-Ruiz T; Fernández-Gómez M
J Chem Phys; 2008 Nov; 129(19):194303. PubMed ID: 19026056
[TBL] [Abstract][Full Text] [Related]
17. Theoretical insight into chlorine adsorption on the Fe(100) surface.
Altarawneh M; Saraireh SA
Phys Chem Chem Phys; 2014 May; 16(18):8575-81. PubMed ID: 24671648
[TBL] [Abstract][Full Text] [Related]
18. A low energy pathway to CuCl2 at Cu(110) surfaces.
Carley AF; Davies PR; Harikumar KR; Jones RV
Phys Chem Chem Phys; 2009 Dec; 11(46):10899-907. PubMed ID: 19924324
[TBL] [Abstract][Full Text] [Related]
19. Ab initio thermodynamics examination of sulfur species present on Rh, Ni, and binary Rh-Ni surfaces under steam reforming reaction conditions.
Lee K; Song C; Janik MJ
Langmuir; 2012 Apr; 28(13):5660-8. PubMed ID: 22385258
[TBL] [Abstract][Full Text] [Related]
20. Structure, energetics, and dynamics of water adsorbed on the muscovite (001) surface: a molecular dynamics simulation.
Wang J; Kalinichev AG; Kirkpatrick RJ; Cygan RT
J Phys Chem B; 2005 Aug; 109(33):15893-905. PubMed ID: 16853018
[TBL] [Abstract][Full Text] [Related]
[Next] [New Search]
