Volume 25; Issue 45

Journal of Physics Condensed Matter

Volume 25; Issue 45

1

Insights into the determination of molecular structure from diffraction data using a Bayesian algorithm

Henao, A, Rovira-Esteva, M, Vispa, A, Tamarit, J Ll, Guardia, E, Pardo, L C

Journal:

Journal of Physics Condensed Matter

Year:

2013

Language:

english

File:

PDF, 1.10 MB

english, 2013

2

Neutron powder diffraction and molecular dynamics study of superionic SrBr 2

Hull, S, Norberg, S T, Eriksson, S G, Mohn, C E

Journal:

Journal of Physics Condensed Matter

Year:

2013

Language:

english

File:

PDF, 1.21 MB

english, 2013

3

The structure of water in solutions containing di- and trivalent cations by empirical potential structure refinement

Bowron, Daniel T, Moreno, Sofia Díaz

Journal:

Journal of Physics Condensed Matter

Year:

2013

Language:

english

File:

PDF, 596 KB

english, 2013

4

Comparison of the atomic level structure of the plastic crystalline and liquid phases of CBr 2 Cl 2 : neutron diffraction and reverse Monte Carlo modelling

Pothoczki, Szilvia, Temleitner, László, Pardo, Luis Carlos, Cuello, Gabriel Julio, Rovira-Esteva, Muriel, Tamarit, Josep Lluis

Journal:

Journal of Physics Condensed Matter

Year:

2013

Language:

english

File:

PDF, 875 KB

english, 2013

5

Acidic properties of aqueous phosphoric acid solutions: a microscopic view

Harsányi, I, Pusztai, L, Jóvári, P, Beuneu, B

Journal:

Journal of Physics Condensed Matter

Year:

2013

Language:

english

File:

PDF, 644 KB

english, 2013

6

The proton conducting electrolyte BaTi 0.5 In 0.5 O 2.75 : determination of the deuteron site and its local environment

Norberg, Stefan T, Rahman, Seikh M H, Hull, Stephen, Knee, Christopher S, Eriksson, Sten G

Journal:

Journal of Physics Condensed Matter

Year:

2013

Language:

english

File:

PDF, 587 KB

english, 2013

7

The atomic scale structure of CXV carbon: wide-angle x-ray scattering and modeling studies

Hawelek, L, Brodka, A, Dore, J C, Honkimaki, V, Burian, A

Journal:

Journal of Physics Condensed Matter

Year:

2013

Language:

english

File:

PDF, 1.35 MB

english, 2013

8

spinvert: a program for refinement of paramagnetic diffuse scattering data

Paddison, Joseph A M, Ross Stewart, J, Goodwin, Andrew L

Journal:

Journal of Physics Condensed Matter

Year:

2013

Language:

english

File:

PDF, 1.20 MB

english, 2013

9

Empirical potential structure refinement of semi-crystalline polymer systems: polytetrafluoroethylene and polychlorotrifluoroethylene

Soper, A K, Page, K, Llobet, A

Journal:

Journal of Physics Condensed Matter

Year:

2013

Language:

english

File:

PDF, 1.96 MB

english, 2013

10

Total scattering analysis of cation coordination and vacancy pair distribution in Yb substituted δ-Bi 2 O 3

Leszczynska, M, Liu, X, Wrobel, W, Malys, M, Norberg, S T, Hull, S, Krok, F, Abrahams, I

Journal:

Journal of Physics Condensed Matter

Year:

2013

Language:

english

File:

PDF, 901 KB

english, 2013

11

Total neutron scattering investigation of the structure of a cobalt gallium oxide spinel prepared by solvothermal oxidation of gallium metal

Playford, Helen Y, Hannon, Alex C, Tucker, Matthew G, Lees, Martin R, Walton, Richard I

Journal:

Journal of Physics Condensed Matter

Year:

2013

Language:

english

File:

PDF, 1.41 MB

english, 2013

12

Nanostructure determination from the pair distribution function: a parametric study of the INVERT approach

Cliffe, Matthew J, Goodwin, Andrew L

Journal:

Journal of Physics Condensed Matter

Year:

2013

Language:

english

File:

PDF, 1.16 MB

english, 2013

13

Conformational analysis of bis(methylthio)methane and diethyl sulfide molecules in the liquid phase: reverse Monte Carlo studies using classical interatomic potential functions

Gereben, Orsolya, Pusztai, László

Journal:

Journal of Physics Condensed Matter

Year:

2013

Language:

english

File:

PDF, 1.03 MB

english, 2013

14

Towards a robust ad hoc data correction approach that yields reliable atomic pair distribution functions from powder diffraction data

Billinge, Simon J L, Farrow, Christopher L

Journal:

Journal of Physics Condensed Matter

Year:

2013

Language:

english

File:

PDF, 240 KB

english, 2013

15

The origin of diffuse scattering in crystalline carbon tetraiodide

Temleitner, L, Pusztai, L

Journal:

Journal of Physics Condensed Matter

Year:

2013

Language:

english

File:

PDF, 790 KB

english, 2013

16

Modification of the sampling algorithm for reverse Monte Carlo modeling with an insufficient data set

Sato, Satoshi, Maruyama, Kenji

Journal:

Journal of Physics Condensed Matter

Year:

2013

Language:

english

File:

PDF, 226 KB

english, 2013

17

Silver environment and covalent network rearrangement in GeS 3 –Ag glasses

Rátkai, L, Kaban, I, Wágner, T, Kolář, J, Valková, S, Voleská, Iva, Beuneu, B, Jóvári, P

Journal:

Journal of Physics Condensed Matter

Year:

2013

Language:

english

File:

PDF, 654 KB

english, 2013

18

Reverse Monte Carlo study of spherical sample under non-periodic boundary conditions: the structure of Ru nanoparticles based on x-ray diffraction data

Gereben, Orsolya, Petkov, Valeri

Journal:

Journal of Physics Condensed Matter

Year:

2013

Language:

english

File:

PDF, 973 KB

english, 2013

19

Inter-molecular correlations in liquid Se 2 Br 2

Shimakura, Hironori, Kawakita, Yukinobu, Ohara, Koji, Pusztai, László, Wakisaka, Yuiko, Takeda, Shin’ichi

Journal:

Journal of Physics Condensed Matter

Year:

2013

Language:

english

File:

PDF, 960 KB

english, 2013

20

The First 24 Years of Reverse Monte Carlo Modelling, Budapest, Hungary, 20–22 September 2012

Keen, David A, Pusztai, László

Journal:

Journal of Physics Condensed Matter

Year:

2013

Language:

english

File:

PDF, 144 KB

english, 2013