185 related articles for article (PubMed ID: 21931890)
1. Proton transfer and autoionization in HNO3·HCl·(H2O)n particles.
Balcı FM; Uras-Aytemiz N; Gómez PC; Escribano R
Phys Chem Chem Phys; 2011 Oct; 13(40):18145-53. PubMed ID: 21931890
[TBL] [Abstract][Full Text] [Related]
2. Interaction in the ternary complexes of HNO3···HCl···H2O: a theoretical study on energetics, structure, and spectroscopy.
Balcı FM; Uras-Aytemiz N
J Phys Chem A; 2011 Jun; 115(23):5943-54. PubMed ID: 21410276
[TBL] [Abstract][Full Text] [Related]
3. Direct ab initio dynamics calculations for rates and the kinetic isotope effects of multiproton transfer in ClONO2 + HCl --> HNO3 + Cl2 reactions with water clusters: breakdown of the rule of the geometric mean.
Nam K; Kim Y
J Chem Phys; 2009 Apr; 130(14):144310. PubMed ID: 19368448
[TBL] [Abstract][Full Text] [Related]
4. Proton transfer of NH3-HCl catalyzed by only one molecule.
Li RJ; Li ZR; Wu D; Chen W; Li Y; Wang BQ; Sun CC
J Phys Chem A; 2005 Feb; 109(4):629-34. PubMed ID: 16833389
[TBL] [Abstract][Full Text] [Related]
5. Electron attachment in ice-HCl clusters: an ab initio study.
Li X; Sanche L; Rauk A; Armstrong D
J Phys Chem A; 2005 May; 109(20):4591-600. PubMed ID: 16833796
[TBL] [Abstract][Full Text] [Related]
6. Partial proton transfer in a molecular complex: assessments from both the donor and acceptor points of view.
Sedo G; Leopold KR
J Phys Chem A; 2011 Mar; 115(10):1787-94. PubMed ID: 21338154
[TBL] [Abstract][Full Text] [Related]
7. Theoretical study of atmospheric clusters: HNO3-HCl-H2O.
Gómez PC; Gálvez O; Escribano R
Phys Chem Chem Phys; 2009 Nov; 11(42):9710-9. PubMed ID: 19851548
[TBL] [Abstract][Full Text] [Related]
8. Classification of OH bonds and infrared spectra of the topology-distinct protonated water clusters H3O+ (H2O)(n-1) (n < or = 7).
Jieli M; Aida M
J Phys Chem A; 2009 Feb; 113(8):1586-94. PubMed ID: 19199681
[TBL] [Abstract][Full Text] [Related]
9. In search of CS2(H2O)(n=1-4) clusters.
Kirschner KN; Hartt GM; Evans TM; Shields GC
J Chem Phys; 2007 Apr; 126(15):154320. PubMed ID: 17461639
[TBL] [Abstract][Full Text] [Related]
10. Theoretical evidence of barrier-free proton transfer in 7-azaindole-water cluster anions.
Chen HY; Young PY; Hsu SC
J Chem Phys; 2009 Apr; 130(16):165101. PubMed ID: 19405633
[TBL] [Abstract][Full Text] [Related]
11. Comparison of hydrated hydroperoxide anion (HOO-)(H2O)n clusters with alkaline hydrogen peroxide (HOOH)(OH-)(H2O)(n-1) clusters, n = 1-8, 20: an ab initio study.
Anick DJ
J Phys Chem A; 2011 Jun; 115(24):6327-38. PubMed ID: 21604682
[TBL] [Abstract][Full Text] [Related]
12. Theoretical investigation of hydrogen bonds between CO and HNF2, H2NF, and HNO.
Li AY
J Phys Chem A; 2006 Sep; 110(37):10805-16. PubMed ID: 16970375
[TBL] [Abstract][Full Text] [Related]
13. Microsolvation of HCl within cold NH3 clusters.
Siuda P; Uras-Aytemiz N; Sadlej J
J Phys Chem A; 2008 Nov; 112(45):11423-30. PubMed ID: 18939785
[TBL] [Abstract][Full Text] [Related]
14. Pseudo-Jahn-Teller origin of the low barrier hydrogen bond in N(2)H(7) (+).
García-Fernández P; García-Canales L; García-Lastra JM; Junquera J; Moreno M; Aramburu JA
J Chem Phys; 2008 Sep; 129(12):124313. PubMed ID: 19045029
[TBL] [Abstract][Full Text] [Related]
15. Theoretical calculation of structures and proton transfer in hydrated ammonia-hydrogen chloride clusters.
Asada T; Takitani S; Koseki S
J Phys Chem A; 2005 Mar; 109(9):1821-7. PubMed ID: 16833512
[TBL] [Abstract][Full Text] [Related]
16. Structure, stability, thermodynamic properties, and IR spectra of the protonated water decamer H+(H2O)10.
Karthikeyan S; Kim KS
J Phys Chem A; 2009 Aug; 113(32):9237-42. PubMed ID: 19618910
[TBL] [Abstract][Full Text] [Related]
17. Theoretical study of binding interactions and vibrational Raman spectra of water in hydrogen-bonded anionic complexes: (H2O)n- (n = 2 and 3), H2O...X- (X = F, Cl, Br, and I), and H2O...M- (M = Cu, Ag, and Au).
Wu DY; Duan S; Liu XM; Xu YC; Jiang YX; Ren B; Xu X; Lin SH; Tian ZQ
J Phys Chem A; 2008 Feb; 112(6):1313-21. PubMed ID: 18215023
[TBL] [Abstract][Full Text] [Related]
18. An ab initio quantum mechanical charge field molecular dynamics simulation of a dilute aqueous HCl solution.
Kritayakornupong C; Vchirawongkwin V; Rode BM
J Comput Chem; 2010 Jun; 31(8):1785-92. PubMed ID: 20020473
[TBL] [Abstract][Full Text] [Related]
19. Gas phase reaction of nitric acid with hydroxyl radical without and with water. A theoretical investigation.
Gonzalez J; Anglada JM
J Phys Chem A; 2010 Sep; 114(34):9151-62. PubMed ID: 20681542
[TBL] [Abstract][Full Text] [Related]
20. A structure-based analysis of the vibrational spectra of nitrosyl ligands in transition-metal coordination complexes and clusters.
De La Cruz C; Sheppard N
Spectrochim Acta A Mol Biomol Spectrosc; 2011 Jan; 78(1):7-28. PubMed ID: 21123107
[TBL] [Abstract][Full Text] [Related]
[Next] [New Search]
