150 related articles for article (PubMed ID: 21103588)
1. Ab initio electron correlated studies on the intracluster reaction of NO+ (H2O)(n) → H3O+ (H2O)(n-2) (HONO) (n = 4 and 5).
Asada T; Nagaoka M; Koseki S
Phys Chem Chem Phys; 2011 Jan; 13(4):1590-6. PubMed ID: 21103588
[TBL] [Abstract][Full Text] [Related]
2. Ab initio studies on the mechanism of the size-dependent hydrogen-loss reaction in Mg+(H2O)n.
Siu CK; Liu ZF
Chemistry; 2002 Jul; 8(14):3177-86. PubMed ID: 12203347
[TBL] [Abstract][Full Text] [Related]
3. 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]
4. Ab initio study of hydrogen-bond formation between aliphatic and phenolic hydroxy groups and selected amino acid side chains.
Nagy PI; Erhardt PW
J Phys Chem A; 2008 May; 112(18):4342-54. PubMed ID: 18373368
[TBL] [Abstract][Full Text] [Related]
5. 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; 112(41):10386-98. PubMed ID: 18816037
[TBL] [Abstract][Full Text] [Related]
6. HF(H2O)n clusters with an excess electron: ab initio study.
Odde S; Mhin BJ; Lee HM; Kim KS
J Chem Phys; 2004 Dec; 121(22):11083-7. PubMed ID: 15634060
[TBL] [Abstract][Full Text] [Related]
7. Computational study on the structures of the [H, Si, N, C, O] isomers: possible species of interstellar interest.
Dover MR; Evans CJ
J Phys Chem A; 2007 Dec; 111(50):13148-56. PubMed ID: 18004831
[TBL] [Abstract][Full Text] [Related]
8. Ab initio and quantum chemical topology studies on the isomerization of HONO to HNO2. Effect of the basis set in QCT.
Berski S; Latajka Z; Gordon AJ
J Comput Chem; 2010 Nov; 31(14):2555-67. PubMed ID: 20740554
[TBL] [Abstract][Full Text] [Related]
9. Theoretical investigation of the reaction mechanism of ClONO2 + HCl → HNO3 + Cl2 on (H2O)n (n = 0-3) cluster.
Asada T; Okajima T; Koseki S
J Phys Chem A; 2013 Aug; 117(33):7928-38. PubMed ID: 23937312
[TBL] [Abstract][Full Text] [Related]
10. Quantum chemical study of the structure, spectroscopy and reactivity of NO
Linton KA; Wright TG; Besley NA
Philos Trans A Math Phys Eng Sci; 2018 Mar; 376(2115):. PubMed ID: 29431680
[TBL] [Abstract][Full Text] [Related]
11. Resolving the HONO formation mechanism in the ionosphere via ab initio molecular dynamic simulations.
He R; Li L; Zhong J; Zhu C; Francisco JS; Zeng XC
Proc Natl Acad Sci U S A; 2016 Apr; 113(17):4629-33. PubMed ID: 27071120
[TBL] [Abstract][Full Text] [Related]
12. Revisit the landscape of protonated water clusters H
Shi R; Li K; Su Y; Tang L; Huang X; Sai L; Zhao J
J Chem Phys; 2018 May; 148(17):174305. PubMed ID: 29739201
[TBL] [Abstract][Full Text] [Related]
13. Ab initio kinetics of gas phase decomposition reactions.
Sharia O; Kuklja MM
J Phys Chem A; 2010 Dec; 114(48):12656-61. PubMed ID: 21077597
[TBL] [Abstract][Full Text] [Related]
14. Stepwise hydration of the cyanide anion: a temperature-controlled photoelectron spectroscopy and ab initio computational study of CN-(H2O)n, n=2-5.
Wang XB; Kowalski K; Wang LS; Xantheas SS
J Chem Phys; 2010 Mar; 132(12):124306. PubMed ID: 20370122
[TBL] [Abstract][Full Text] [Related]
15. Isomers of the uracil dimer: an ab initio benchmark study.
Frey JA; Müller A; Losada M; Leutwyler S
J Phys Chem B; 2007 Apr; 111(13):3534-42. PubMed ID: 17388514
[TBL] [Abstract][Full Text] [Related]
16. Concerning the reaction between singlet nitrenium ions and water: a computational investigation on competitive reaction paths.
Facchini P; Grandinetti F
J Comput Chem; 2003 Apr; 24(5):547-64. PubMed ID: 12632470
[TBL] [Abstract][Full Text] [Related]
17. Thermodynamic properties of the C5, C6, and C8 n-alkanes from ab initio electronic structure theory.
Pollack L; Windus TL; de Jong WA; Dixon DA
J Phys Chem A; 2005 Aug; 109(31):6934-8. PubMed ID: 16834051
[TBL] [Abstract][Full Text] [Related]
18. 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]
19. Hydrated hydride anion clusters.
Lee HM; Kim D; Singh NJ; Kołaski M; Kim KS
J Chem Phys; 2007 Oct; 127(16):164311. PubMed ID: 17979342
[TBL] [Abstract][Full Text] [Related]
20. Calculating geochemical reaction pathways--exploration of the inner-sphere water exchange mechanism in Al(H2O)6(3+)(aq) + nH2O with ab Initio calculations and molecular dynamics.
Evans RJ; Rustad JR; Casey WH
J Phys Chem A; 2008 May; 112(17):4125-40. PubMed ID: 18366199
[TBL] [Abstract][Full Text] [Related]
[Next] [New Search]
