300 related articles for article (PubMed ID: 15473795)
21. Ab initio molecular dynamics studies of ionic dissolution and precipitation of sodium chloride and silver chloride in water clusters, NaCl(H2O)n and AgCl(H2O)n, n = 6, 10, and 14.
Siu CK; Fox-Beyer BS; Beyer MK; Bondybey VE
Chemistry; 2006 Aug; 12(24):6382-92. PubMed ID: 16718727
[TBL] [Abstract][Full Text] [Related]
22. A study of N-methylacetamide in water clusters: based on atom-bond electronegativity equalization method fused into molecular mechanics.
Yang ZZ; Qian P
J Chem Phys; 2006 Aug; 125(6):64311. PubMed ID: 16942290
[TBL] [Abstract][Full Text] [Related]
23. Microsolvation of the dicyanamide anion: [N(CN)(2)(-)](H(2)O)n (n = 0-12).
Jagoda-Cwiklik B; Wang XB; Woo HK; Yang J; Wang GJ; Zhou M; Jungwirth P; Wang LS
J Phys Chem A; 2007 Aug; 111(32):7719-25. PubMed ID: 17658734
[TBL] [Abstract][Full Text] [Related]
24. Constructing simple yet accurate potentials for describing the solvation of HCl/water clusters in bulk helium and nanodroplets.
Boese AD; Forbert H; Masia M; Tekin A; Marx D; Jansen G
Phys Chem Chem Phys; 2011 Aug; 13(32):14550-64. PubMed ID: 21687854
[TBL] [Abstract][Full Text] [Related]
25. Global minimum-energy structure and spectroscopic properties of I2(*-) x n H2O clusters: a Monte Carlo simulated annealing study.
Pathak AK; Mukherjee T; Maity DK
Chemphyschem; 2010 Jan; 11(1):220-8. PubMed ID: 19943270
[TBL] [Abstract][Full Text] [Related]
26. Theoretical study of pyridine and 4,4'-bipyridine adsorption on the lewis acid sites of alumina surfaces based on ab initio and density functional cluster calculations.
Kassab E; Castellà-Ventura M
J Phys Chem B; 2005 Jul; 109(28):13716-28. PubMed ID: 16852719
[TBL] [Abstract][Full Text] [Related]
27. Electron and nuclear dynamics of molecular clusters in ultraintense laser fields. III. Coulomb explosion of deuterium clusters.
Last I; Jortner J
J Chem Phys; 2004 Aug; 121(7):3030-43. PubMed ID: 15291612
[TBL] [Abstract][Full Text] [Related]
28. Microsolvation of the sodium and iodide ions and their ion pair in acetonitrile clusters: a theoretical study.
Nguyen TN; Hughes SR; Peslherbe GH
J Phys Chem B; 2008 Jan; 112(2):621-35. PubMed ID: 18183958
[TBL] [Abstract][Full Text] [Related]
29. Koopmans' theorem in the ROHF method: canonical form for the Hartree-Fock Hamiltonian.
Plakhutin BN; Gorelik EV; Breslavskaya NN
J Chem Phys; 2006 Nov; 125(20):204110. PubMed ID: 17144693
[TBL] [Abstract][Full Text] [Related]
30. Structural and electronic properties of Si(n), Si(n)-, and PSi(n-1) clusters (2 < or = n < or = 13): Theoretical investigation based on ab initio molecular orbital theory.
Nigam S; Majumder C; Kulshreshtha SK
J Chem Phys; 2006 Aug; 125(7):074303. PubMed ID: 16942335
[TBL] [Abstract][Full Text] [Related]
31. Theoretical study of the solvation of fluorine and chlorine anions by water.
Kemp DD; Gordon MS
J Phys Chem A; 2005 Sep; 109(34):7688-99. PubMed ID: 16834143
[TBL] [Abstract][Full Text] [Related]
32. The nature of halogen...halide synthons: theoretical and crystallographic studies.
Awwadi FF; Willett RD; Peterson KA; Twamley B
J Phys Chem A; 2007 Mar; 111(12):2319-28. PubMed ID: 17388325
[TBL] [Abstract][Full Text] [Related]
33. Kinetic Monte Carlo model of charge transport in hematite (alpha-Fe(2)O(3)).
Kerisit S; Rosso KM
J Chem Phys; 2007 Sep; 127(12):124706. PubMed ID: 17902930
[TBL] [Abstract][Full Text] [Related]
34. Hydrogen bonds in gas-phase clusters between halide ions and olefins.
Hiraoka K; Katsuragawa J; Sugiyama T; Kojima T; Yamabe S
J Am Soc Mass Spectrom; 2001 Feb; 12(2):144-9. PubMed ID: 11211999
[TBL] [Abstract][Full Text] [Related]
35. Geometrical and electronic properties of neutral and charged cesium clusters Cs(n) (n=2-10): a theoretical study.
Ali Basu M; Maity DK; Das D; Mukherjee T
J Chem Phys; 2006 Jan; 124(2):024325. PubMed ID: 16422601
[TBL] [Abstract][Full Text] [Related]
36. Ab initio molecular dynamics simulations of an excited state of X(-)(H(2)O)(3) (X = Cl, I) complex.
Kołaski M; Lee HM; Pak C; Dupuis M; Kim KS
J Phys Chem A; 2005 Oct; 109(42):9419-23. PubMed ID: 16866390
[TBL] [Abstract][Full Text] [Related]
37. Computational study on the negative electron affinities of NO2 -.(H2O)n clusters (n=0-30).
Ejsing AM; Brøndsted Nielsen S
J Chem Phys; 2007 Apr; 126(15):154313. PubMed ID: 17461632
[TBL] [Abstract][Full Text] [Related]
38. Atom-bond electronegativity equalization method fused into molecular mechanics. I. A seven-site fluctuating charge and flexible body water potential function for water clusters.
Yang ZZ; Wu Y; Zhao DX
J Chem Phys; 2004 Feb; 120(6):2541-57. PubMed ID: 15268398
[TBL] [Abstract][Full Text] [Related]
39. 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]
40. Study of lithium cation in water clusters: based on atom-bond electronegativity equalization method fused into molecular mechanics.
Li X; Yang ZZ
J Phys Chem A; 2005 May; 109(18):4102-11. PubMed ID: 16833733
[TBL] [Abstract][Full Text] [Related]
[Previous] [Next] [New Search]
