Volume 47; Issue 4

Journal of Applied Crystallography

Volume 47; Issue 4

1

PolaBer : a program to calculate and visualize distributed atomic polarizabilities based on electron density partitioning

Krawczuk, Anna, Pérez, Daniel, Macchi, Piero

Journal:

Journal of Applied Crystallography

Year:

2014

Language:

english

File:

PDF, 490 KB

english, 2014

2

Does the size of a crystal matter in an X-ray crystal structure analysis of a small molecule?

Tan, Seng Lim, Ng, Seik Weng

Journal:

Journal of Applied Crystallography

Year:

2014

Language:

english

File:

PDF, 61 KB

english, 2014

3

Simple and efficient modifications of well known techniques for reliable growth of high-quality crystals of small bioorganic molecules

Rychkov, Denis A., Arkhipov, Sergey G., Boldyreva, Elena V.

Journal:

Journal of Applied Crystallography

Year:

2014

Language:

english

File:

PDF, 1.03 MB

english, 2014

4

Composition-dependent magnitude of atomic shuffles in Ti–Nb martensites

Bönisch, Matthias, Calin, Mariana, Giebeler, Lars, Helth, Arne, Gebert, Annett, Skrotzki, Werner, Eckert, Jürgen

Journal:

Journal of Applied Crystallography

Year:

2014

Language:

english

File:

PDF, 889 KB

english, 2014

5

Texture analysis with a time-of-flight neutron strain scanner

Malamud, Florencia, Santisteban, Javier R., Vicente Alvarez, Miguel Angel, Bolmaro, Raúl, Kelleher, Joe, Kabra, Saurabh, Kockelmann, Winfried

Journal:

Journal of Applied Crystallography

Year:

2014

Language:

english

File:

PDF, 2.19 MB

english, 2014

6

A simple approach to determine the polarization coefficient at synchrotron radiation stations

Sulyanov, Sergei, Dorovatovskii, Pavel, Boysen, Hans

Journal:

Journal of Applied Crystallography

Year:

2014

Language:

english

File:

PDF, 373 KB

english, 2014

7

EBSDL : a computer program for determining an unknown Bravais lattice using a single electron backscatter diffraction pattern

Li, Lili, Ouyang, Sheng, Yang, Yanqing, Han, Ming

Journal:

Journal of Applied Crystallography

Year:

2014

Language:

english

File:

PDF, 258 KB

english, 2014

8

Comparison between a near-field and a far-field indexing approach for characterization of a polycrystalline sample volume containing more than 1500 grains

Nervo, Laura, King, Andrew, Wright, Jonathan P., Ludwig, Wolfgang, Reischig, Péter, Quinta da Fonseca, Joao, Preuss, Michael

Journal:

Journal of Applied Crystallography

Year:

2014

Language:

english

File:

PDF, 2.12 MB

english, 2014

9

Novel multiple-beam very small angle neutron scattering (VSANS) using a conventional SANS instrument

Dewhurst, C. D.

Journal:

Journal of Applied Crystallography

Year:

2014

Language:

english

File:

PDF, 1.50 MB

english, 2014

10

All-diamond optical assemblies for a beam-multiplexing X-ray monochromator at the Linac Coherent Light Source

Stoupin, S., Terentyev, S. A., Blank, V. D., Shvyd'ko, Yu. V., Goetze, K., Assoufid, L., Polyakov, S. N., Kuznetsov, M. S., Kornilov, N. V., Katsoudas, J., Alonso-Mori, R., Chollet, M., Feng, Y., Glow

Journal:

Journal of Applied Crystallography

Year:

2014

Language:

english

File:

PDF, 950 KB

english, 2014

11

Orientation dependence of the martensite transformation in a quenched and partitioned steel subjected to uniaxial tension

De Knijf, D., Nguyen-Minh, T., Petrov, R. H., Kestens, L. A. I., Jonas, John J.

Journal:

Journal of Applied Crystallography

Year:

2014

Language:

english

File:

PDF, 871 KB

english, 2014

12

Double hexagonal close-packed structure revealed in a single colloidal crystal grain by Bragg rod analysis

Meijer, J.-M., Shabalin, A., Dronyak, R., Yefanov, O. M., Singer, A., Kurta, R. P., Lorenz, U., Gorobstov, O., Dzhigaev, D., Gulden, J., Byelov, D. V., Zozulya, A. V., Sprung, M., Vartanyants, I. A.,

Journal:

Journal of Applied Crystallography

Year:

2014

Language:

english

File:

PDF, 823 KB

english, 2014

13

Resolution function for X-ray powder diffraction in a noncoplanar measurement geometry with the detector arm having two degree of freedom

Benediktovitch, Andrei, Ulyanenkova, Tatjana, Ulyanenkov, Alex

Journal:

Journal of Applied Crystallography

Year:

2014

Language:

english

File:

PDF, 449 KB

english, 2014

14

Rocking curve measurements revisited

Masiello, Fabio, Cembali, Gianfranco, Chumakov, Alexander I., Connell, Simon H., Ferrero, Claudio, Härtwig, Jürgen, Sergeev, Ilya, Van Vaerenbergh, Pierre

Journal:

Journal of Applied Crystallography

Year:

2014

Language:

english

File:

PDF, 1.23 MB

english, 2014

15

On the estimation of statistical uncertainties on powder diffraction and small-angle scattering data from two-dimensional X-ray detectors

Yang, X., Juhás, P., Billinge, S. J. L.

Journal:

Journal of Applied Crystallography

Year:

2014

Language:

english

File:

PDF, 834 KB

english, 2014

16

The strongly defective double perovskite Sr 11 Mo 4 O 23 : crystal structure in relation to ionic conductivity

López, Carlos A., Pedregosa, José C., Lamas, Diego G., Alonso, José A.

Journal:

Journal of Applied Crystallography

Year:

2014

Language:

english

File:

PDF, 1.01 MB

english, 2014

17

Elucidating the crystal structure of the antimalarial drug (±)-mefloquine hydrochloride: a tetragonal hydrated species

Mendes do Prado, Vânia, Cardoso Seiceira, Rafael, Pitaluga Jr, Altivo, Andrade-Filho, Tarciso, Andrade Alves, Wendel, Reily Rocha, Alexandre, Furlan Ferreira, Fabio

Journal:

Journal of Applied Crystallography

Year:

2014

Language:

english

File:

PDF, 743 KB

english, 2014

18

Neutron and X-ray diffraction study of ferrite nanocrystals obtained by microwave-assisted growth. A structural comparison with the thermal synthetic route. Corrigendum

Solano, Eduardo, Frontera, Carlos, Puente Orench, Inés, Puig, Teresa, Obradors, Xavier, Ricart, Susagna, Ros, Josep

Journal:

Journal of Applied Crystallography

Year:

2014

Language:

english

File:

PDF, 36 KB

english, 2014

19

The Bio-SANS instrument at the High Flux Isotope Reactor of Oak Ridge National Laboratory

Heller, William T., Urban, Volker S., Lynn, Gary W., Weiss, Kevin L., O'Neill, Hugh M., Pingali, Sai Venkatesh, Qian, Shuo, Littrell, Kenneth C., Melnichenko, Yuri B., Buchanan, Michelle V., Selby, Do

Journal:

Journal of Applied Crystallography

Year:

2014

Language:

english

File:

PDF, 902 KB

english, 2014

20

Resolution of small-angle neutron scattering with a reflective focusing optic

Mildner, David F. R.

Journal:

Journal of Applied Crystallography

Year:

2014

Language:

english

File:

PDF, 250 KB

english, 2014

21

Site-specific electronic structures of ferrimagnetic Fe 3 O 4 measured by resonant X-ray magnetic scattering

Okube, Maki, Sasaki, Satoshi

Journal:

Journal of Applied Crystallography

Year:

2014

Language:

english

File:

PDF, 650 KB

english, 2014

22

dxtbx : the diffraction experiment toolbox

Parkhurst, James M., Brewster, Aaron S., Fuentes-Montero, Luis, Waterman, David G., Hattne, Johan, Ashton, Alun W., Echols, Nathaniel, Evans, Gwyndaf, Sauter, Nicholas K., Winter, Graeme

Journal:

Journal of Applied Crystallography

Year:

2014

Language:

english

File:

PDF, 850 KB

english, 2014

23

Promising times for neutron scattering

Andersen, Ken H., Barker, John G.

Journal:

Journal of Applied Crystallography

Year:

2014

File:

PDF, 165 KB

2014

24

Spurious peaks arising from multiple scattering events involving the sample environment in inelastic neutron scattering

Pintschovius, Lothar, Reznik, Dmitry, Weber, Frank, Bourges, Philippe, Parshall, D., Mittal, Ranjan, Chaplot, Samrath Lal, Heid, Rolf, Wolf, Thomas, Lamago, Daniel, Lynn, Jeffrey W.

Journal:

Journal of Applied Crystallography

Year:

2014

Language:

english

File:

PDF, 704 KB

english, 2014

25

Promising times for neutron scattering

Andersen, Ken H., Barker, John G.

Journal:

Journal of Applied Crystallography

Year:

2014

Language:

english

File:

PDF, 165 KB

english, 2014

26

A new experimental setup for high-throughput controlled non-photochemical laser-induced nucleation: application to glycine crystallization

Clair, Bertrand, Ikni, Aziza, Li, Wenjing, Scouflaire, Philippe, Quemener, Vincent, Spasojević-de Biré, Anne

Journal:

Journal of Applied Crystallography

Year:

2014

Language:

english

File:

PDF, 2.25 MB

english, 2014

27

Update for BayesApp : a web site for analysis of small-angle scattering data

Journal:

Journal of Applied Crystallography

Year:

2014

Language:

english

File:

PDF, 383 KB

english, 2014

28

In situ microfluidic dialysis for biological small-angle X-ray scattering

Skou, Magda, Skou, Søren, Jensen, Thomas G., Vestergaard, Bente, Gillilan, Richard E.

Journal:

Journal of Applied Crystallography

Year:

2014

Language:

english

File:

PDF, 1.33 MB

english, 2014

29

Small-angle X-ray scattering structural study of the nanofiber self-assembly process in supramolecular gels based on glucopyranosides

Abreu, Marlon F., dos Santos, Denise R., Gatts, Carlos E. N., Giacomini, Rosana, Cardoso, Sergio L., Miranda, Paulo C. M. L.

Journal:

Journal of Applied Crystallography

Year:

2014

Language:

english

File:

PDF, 3.23 MB

english, 2014

30

A study of as-grown, poled and reduced Rh-doped KNbO 3 single crystals by high-resolution X-ray diffraction, Raman scattering, photoluminescence and dielectric measurements

Bhagavannarayana, G., Choubey, A., Kushwaha, S. K., Sharma, S. N., Rani, R., Vijayan, N.

Journal:

Journal of Applied Crystallography

Year:

2014

Language:

english

File:

PDF, 669 KB

english, 2014

31

Morphology determination of defect-rich diblock copolymer films with time-of-flight grazing-incidence small-angle neutron scattering

Müller-Buschbaum, Peter, Kaune, Gunar, Haese-Seiller, Martin, Moulin, Jean-Francois

Journal:

Journal of Applied Crystallography

Year:

2014

Language:

english

File:

PDF, 1.40 MB

english, 2014

32

The α–β phase transition in volcanic cristobalite

Damby, David E., Llewellin, Edward W., Horwell, Claire J., Williamson, Ben J., Najorka, Jens, Cressey, Gordon, Carpenter, Michael

Journal:

Journal of Applied Crystallography

Year:

2014

Language:

english

File:

PDF, 519 KB

english, 2014

33

Detecting orientational order in model systems by X-ray cross-correlation methods

Lehmkühler, Felix, Grübel, Gerhard, Gutt, Christian

Journal:

Journal of Applied Crystallography

Year:

2014

Language:

english

File:

PDF, 1.34 MB

english, 2014

34

Neutron and synchrotron probes in the development of Co–Re-based alloys for next generation gas turbines with an emphasis on the influence of boron additives

Mukherji, D., Gilles, R., Karge, L., Strunz, P., Beran, P., Eckerlebe, H., Stark, A., Szentmiklosi, L., Mácsik, Z., Schumacher, G., Zizak, I., Hofmann, M., Hoelzel, M., Rösler, J.

Journal:

Journal of Applied Crystallography

Year:

2014

Language:

english

File:

PDF, 3.13 MB

english, 2014

35

The chord-length probability density of the regular octahedron

Ciccariello, Salvino

Journal:

Journal of Applied Crystallography

Year:

2014

File:

PDF, 1.13 MB

2014

36

The correlation functions of the regular tetrahedron and octahedron

Ciccariello, Salvino

Journal:

Journal of Applied Crystallography

Year:

2014

File:

PDF, 529 KB

2014