Results 41 to 50 of about 1,382 (132)

Ab initio phasing of the diffraction of crystals with translational disorder. [PDF]

Acta Crystallogr A Found Adv, 2019
Morgan AJ, Ayyer K, Barty A, Chen JPJ, Ekeberg T, Oberthuer D, White TA, Yefanov O, Chapman HN.   +8 more
europepmc   +1 more source

Towards ab initio phase diagram prediction

, 2015
Une approche théorique combinant des calculs premiers principes et la modélisation thermodynamique a été développée pour décrire et prédire des équilibres de phase, notamment dans les systèmes métalliques et hydrures.Par exemple, la prise en compte de la non-stœchiométrie de phases intermétalliques a été étudiée en couplant ces approches, permettant de
openaire   +1 more source

Ab initio phasing by molecular averaging in real space with new criteria: application to structure determination of a betanodavirus. [PDF]

Acta Crystallogr D Struct Biol, 2016
Yoshimura M, Chen NC, Guan HH, Chuankhayan P, Lin CC, Nakagawa A, Chen CJ.   +6 more
europepmc   +1 more source

Ab Initio Phase Diagram of Tungsten

, 2020
Samuel Baty, Leonid Burakovsky, Dean Preston   +2 more
openaire   +2 more sources

Direct Phasing of Protein Crystals with Hybrid Difference Map Algorithms. [PDF]

Molecules
He H, Liu Y, Su WP.
europepmc   +1 more source

The AI-based phase-seeding (AI-PhaSeed) method: early applications and statistical analysis. [PDF]

J Appl Crystallogr
Carrozzini B, Fedele F, Moliterni A, De Caro L, Cuocci C, Giannini C, Caliandro R, Altomare A.   +7 more
europepmc   +1 more source

Reuniting crystallography with real space: Ab initio structure elucidation with 4D-STEM. [PDF]

Proc Natl Acad Sci U S A
Saha A, Pattison AJ, Bustillo KC, Mittan-Moreau DW, Brewster AS, Zhang J, Ercius P.   +6 more
europepmc   +1 more source

The phase-seeding method for solving non-centrosymmetric crystal structures: a challenge for artificial intelligence. [PDF]

Acta Crystallogr A Found Adv
Carrozzini B, De Caro L, Giannini C, Altomare A, Caliandro R.   +4 more
europepmc   +1 more source

Cookbook for plant genome sequences. [PDF]

BMC Genomics
de Oliveira JAVS, Choudhary N, Meckoni SN, Nowak MS, Hagedorn M, Pucker B.   +5 more
europepmc   +1 more source

3D Electron Diffraction Structure of an Organic Semiconductor Reveals Conformational Polymorphism. [PDF]

J Am Chem Soc
Kurokawa H, Maki-Yonekura S, Takaba K, Higashino T, Inoue S, Hasegawa T, Yonekura K.   +6 more
europepmc   +1 more source