Introduction to session

Pierro Macchi, Dietmar Stalke

Multi-determinant X-ray restrained wavefunction approaches

Alessandro Genoni

Spin resolved charge density and wave function refinements: the Mollynx/MoPro software

Mohamed SOUHASSOU, Iurii KIBALIN, Ariste Bolivard VOUFACK, Peter BLAHA, Claude LECOMTE, Nicolas CLAISER

N-representable one-electron reduced density Matrices reconstruction at non-zero temperatures.

Yoann Levis Launay, Jean-Michel Gillet

Accurate refinement of hydrogen atoms positions through a quantum mechanical embedding scheme based on extremely localized molecular orbitals

Giovanni Macetti, Erna Katharina Wieduwilt, Alessandro Genoni

Relativistic Hirshfeld atom refinement of organo-gold(I) and organo-mercury(II) compounds.

Sylwia Pawlędzio, Maura Malinska, Florian Kleemiss, Simon Grabowsky, Krzysztof Woźniak

Introduction to session

Angiolina Comotti, Ryotaro Matsuda

Crystal Engineering of Ultramicroporous Materials

Michael John Zaworotko

The role of noncovalent interactions in the properties of porous compounds

Catharine Esterhuysen

Direct observation of the xenon physisorption process in mesopores by combining in situ Anomalous Small-Angle X‑ray Scattering and X‑ray Absorption Spectroscopy

Armin Hoell, Gericke Eike, Wallacher Dirk, Wendt Robert, Greco Giorgia, Krumrey Michael, Raoux Simone, Mascotto Simone

Crystal engineered hybrid ultramicroporous materials for single-step ethylene purification from C2-CO₂ ternary mixture

Soumya Mukherjee, Michael J. Zaworotko

Gas adsorption and separation: tuning the channel electrostatics for CO₂.

Charl Bezuidenhout, Jacopo Perego, Silvia Bracco, Piero Sozzani

Elucidation of CO₂ adsorption process in a bis-pyrazolate based MOF through HR-PXRD

Stephanie Terruzzi, Rebecca Vismara, Simona Galli, Valentina Colombo

Introduction to session

Christopher Sumby, Michael John Zaworotko

Flexible Metal-Organic Frameworks for Hydrogen Isotope Separation

Hoi Ri Moon

Novel composite platform: Biomolecules-incorporation for biocatalysis, separation and biopharmaceutical formulations

Yao Chen

Dynamic frameworks: the role of non-covalent interactions

Susan Ann Bourne

Synthesis and structural properties of isostructural Zn(II) M₁₂L₈ poly-[n]-catenane using the 2,4,6-tris(4-pyridyl)benzene (TPB) ligand

Javier Marti-Rujas, Stefano Torresi, Antonino Famulari

Cocrystallization, high pressure/low temperature behaviour and vapochromism in a family of aurophilic copper-gold supramolecular networks.

Emanuele Priola, Nadia Curetti, Domenica Marabello, Jacopo Andreo, Alessia Giordana, Lorenza Operti, Piera Benna, Eliano Diana

Structural modifications occurring during the water sorption processes on a potential material for autonomous indoor humidity control

Patrice Kenfack Tsobnang, Thiery Yannick Sakam Nchedoung, Dominik Fröhlich, Emrah Hastürk, Florence Porcher, Christoph Janiak

Introduction to session

Seiji Tsuzuki, Alessia Bacchi

Modulation of halogen, chalcogen and pnictogen bonds by σ-hole tunning

Jindrich Fanfrlik

Benzothiadiazole-based luminescent stimuli-responsive materials: The role of “2S–2N” square synthon on their supramolecular arrangement and switchable behaviour

Berta Gómez-Lor, Marcelo Echeverri

Combining modified CCDC tools to predict multicomponent formation: co-crystals of nevirapine and benzoic derivatives

Rogeria Nunes Costa, Duane Choquesillo-Lazarte, Elna Pidcock, Silvia Lucía Cuffini, Lourdes Infantes

Gold(III) as an effective electrophilic site, namely coinage bond donor: assembly of AuCl₄ˉ units into supramolecular anionic polymers

Giuseppe Resnati, Andrea Daolio, Andrea Pizzi, Giancarlo Terraneo, Maurizio Ursini, Antonio Frontera

Experimental and ab initio molecular dynamics study of hydrogen bond systems in selected crystals

Leszek M. Malec, Mateusz Z. Brela, Katarzyna M. Stadnicka

Thermally Actuating Multifunctional Molecular Crystals

Durga Prasad Karothu, Rodrigo Ferreira, Luca Catalano, Ghada Dushaq, Mahmoud Rasras, Panče Naumov

Introduction to session

Javier Sanchez-Benitez, Ovidiu Garlea

Magnetic Phase diagram of alpha-RuCl₃

Stephen Nagler, Christian Balz

Striping of orbital-order with charge-disorder in optimally doped manganites

Mark Senn

Formation and ordering of orbital molecules in AV₂O₄ spinels

A. J. Browne, J. P. Attfield

Perovzalates: a family of perovskite-related oxalates

Rebecca Clulow, Alasdair J. Bradford, Stephen L. Lee, Philip Lightfoot

Aurivillius oxyfluorides: nuclear and magnetic order and the role of the anion sublattice

Emma E. McCabe

Intermartensitic transformation between modulated structures in Heusler Ni-Mn-Ga(-Fe) single crystals

Oleg Heczko, Petr Veřtát, MIlan Klicpera, Oscar Fabelo, Ladislav Straka

Introduction to session

Roman Sibille, Geetha Balakrishnan

Dimer physics in the frustrated Cairo pentagonal antiferromagnet Bi₂Fe₄O₉

Ketty Beauvois, Virginie Simonet, Sylvain Petit, Julien Robert, Frédéric Bourdarot, Marin Gospodinov, Sacha Mukhin, Rafik Ballou, Vassil Skumryev, Eric Ressouche

Characterizing the local charge density to determine complex magnetic correlations, and vice versa

Nicolas Gauthier

Magnetic structure and interactions in 2D layered van der Waals semiconductors CrPS₄ and MnPSe₃ probed with neutron scattering

Stuart Calder, Amanda Haglund, Yaohua Liu, Daniel Pajerowski, Huibo Cao, Travis Williams, Alexander Kolesnikov, Vasile Garlea, David Mandrus

Geometric frustration on the trillium lattice in a magnetic metal–organic framework

Johnathan M. Bulled, Joseph A. M. Paddison, Andrew Wildes, Elsa Lhotel, Breogan Pato-Doldan, L. Claudia Gomez-Aguirre, Paul J. Saines, Andrew L. Goodwin

Investigating Kosterlitz-Thouless physics in the triangular lattice antiferromagnet TmMgGaO₄

Benjamin A. Frandsen, Zhiling Dun, Raju Baral, Martin Mourigal

Nanoscale distortions and ground state selection in geometrically frustrated magnets

Alexandros Lappas, Benjamin Frandsen, Emil Bozin

Introduction to session

Karena Chapman, Fernando Uribe-Romo

Densely Packed UV-Visible Light Responsive Photocatalytic Pairs in Hexagonally Arrayed Silicate Nanochannels for Hydrogen Production

Je-Wei Chang, An-Chung Su, Ying−Huang Lai, U−Ser Jeng

MOFs as hosts to analogues of complex magnetic phases

Emma H Wolpert, François-Xaiver Coudert, Andrew L Goodwin

NMR crystallography of 2D and 3D assemblies of functional molecules

Martin Dracinsky, Guillaume Bastien, Carina Santos-Hurtado, Jiri Kaleta

From CO₂ to dimethyl ether: mesostructured acidic oxides for methanol dehydration to design bifunctional catalysts

Fausto Secci, Claudio Cara, Elisabetta Rombi, Marco Sanna Angotzi, Sarah Lai, Kai Skrodczky, Nicola Pinna, Mauro Mureddu, Carla Cannas

Introduction to session

Juan Manuel Garcia-Ruiz, Giuseppe Falini

Incoporation of amino acids into inorganic crystalline hosts: from biomineralization to bio-Inspired band gap engineering

Boaz Pokroy

The role of intramineral proteins involved into the biomineralization of calcium carbonate in eggshells formation. Implications to the dinosaurs´ extinction

Abel MORENO, Nerith Rocío ELEJALDE-CADENA

Crystal texture of mineral self-organized structures from soda lake water and their implication to early Earth and prebiotic chemistry

Melese Getenet, Juan Manuel García-Ruiz

Structure and properties of coralline red alga: from helical configuration to alternating layers

Nuphar Bianco-Stein, Iryna Polishchuk, Boaz Pokroy

Non-destructive 3D orientational mapping of bone using diffractive X-ray tomography

Fredrik K. Mürer, Sophie Sanchez, Kristin Olstad, Marco Di Michiel, Basab Chattopadhyay, Dag W. Breiby

Introduction to session

Angelika Dorothea Rosa, Ulf Zastrau

Unveiling the structural and electronic interplay in 3d and 4f/5d compounds at high-pressure

Virginia Monteseguro, Juan Ángel Sans, Vera Cuartero, Javier Ruiz-Fuertes, Catalin Popescu, Fernando Rodríguez

Phase Transition Lowering and Melting in Dynamically-Compressed Silicon and Germanium at the LCLS

Emma Elizabeth McBride

A new internally heated diamond anvil cell system for time resolved optical and x-ray measurements.

Yimin Mijiti, Marco Perrri, Jean Coquet, Lucie Nataf, Marco Minicucci, Angela Trapananti, Tetsuo Irifune, Francois Baudelet, Andrea Di Cicco

EMA beamline status and its XRD prospects

Guilherme A. Calligaris, Marcos A. S. Eleotério, José C. Corsaletti Filho, Hugo H. V. L. Campos, Joel A. V. Mendonça, Carlos Doro, Audrey D. Grockowiak, Ulisses F. Kaneko, Ricardo D. dos Reis, Narcizo M. Souza-Neto

Fast EXAFS measurement in piezo-driven single-crystal monochromatization scheme

Andrey Protsenko, Alexander Blagov, Anton Targonsky, Yan Eliovich, Alexander Rogachev, Sergey Yakunin, Michail Kovalchuk

Unveiling the Structural Behavior under Pressure of Filled M_0.5Co₄Sb₁₂ (M = K, Sr, La, Ce, and Yb) Thermoelectric Skutterudites

Joao Elias FIGUEIREDO SOARES RODRIGUES, Javier Gainza, Federico Serrano-Sánchez, Mateus Ferrer, Catalin Popescu, José Alonso

Towards higher densities of matter: ultra-high pre-compression in shock dynamic experiments

Anand Prashant Dwivedi, Sylvain Petitgirard, Karen Appel, Erik Brambrink, Zuzana Konôpková, Marius Millot, Thomas Preston, Alessandra Ravasio, Cornelius Strohm, Ulf Zastrau, Valerio Cerantola

Introduction to session

Consiglia Tedesco, Toru Asahi

In situ study of chemical synthesis using high-energy X-ray diffraction on beamline I12 at Diamond Light Source

Oxana V. Magdysyuk, Thomas Connolley, Robert Atwood, Stefan Michalik

The solid-state chemistry of rhodium(I) pincer complexes under extreme conditions.

Alexandra Longcake, Jeremiah P. Tidey, Mark S. Senn, Adrian B. Chaplin

Insight into the Structural Variations of Fergusonite-Type Structures: Combined Experimental and Computational Studies

Bryce Mullens, Maxim Avdeev, Helen Brand, Subrata Mondal, Ganapathy Vaitheeswaran, Brendan Kennedy

Growth and spectroscopic studies of Na₂W₂O₇ crystals doped with Ce⁺⁴ and Cr⁺³ ions, promising scintillation detectors of elementary particles

Veronika Grigorieva, Mariana Rakhmanova, Alexey Ryadun

Correlation between structural studies and third order NLO properties of three new semi-organic compounds

Rim Benali-Cherif, Radhwane Takouachet, El-Eulmi Bendeif, Nourredine Benali-Cherif

Structural, magnetic and optical properties study of tellurium–based: Sr_3–xPb_xFe₂TeO₉ (0 ≤ x ≤ 2.25) double perovskites

Abdelhadi El Hachmi, Bouchaib Manoun, Mohammed Sajieddine, Peter Lazor

Introduction to session

Jasper Rikkert Plaisier, Dibyendu Bhattacharyya

Operando X-ray Absorption Spectroscopy probing Dynamic Processes in Batteries

Moniek Tromp

Operando diagnostics of cathode materials based on novel sodium iron titanites

Victor Vasilevich Shapovalov, Alexander Alexandrovich Guda, Vera Valerevna Butova, Abdelaziz Mohamed Aboraia, Igol Leonidovich Shukaev, Alexander Vladimirovich Soldatov

Introduction to session

Javier Perez

Representing low-resolution electron density maps from solution scattering data

Thomas Grant

Integrative modeling of structure and dynamics of macromolecules based on SAXS profiles and cross-linking mass spectrometry

Dina Schneidman

Introduction to session

Mitsuhiro Shibayama, Jrjeng Ruan

Metastable structures, interplay of sequential deformations, and interactions between tungsten disulfide nanotubes and poly(L-lactide) studied by in situ X-ray scattering

Julia Kornfield

Kinetics of mesoglobule formation and disintegration in solutions of thermoresponsive polymers after fast pressure jumps

Christine Papadakis, Bart-Jan Niebuur, Leonardo Chiappisi, Florian A. Jung, Xiaohan Zhang, Alfons Schulte

Aggregation States and Proton Conductivity in Perfluorosulfonic Acid Thin Films under Humidity Condition

Daisuke Kawaguchi, Shigeki Yonemori, Yudai Ogata, Noboru Miyata, Tessei Yoshida, Tsukasa Miyazaki, Hiroyuki Aoki, Keiji Tanaka

Exploring the formation of Hf metal-organic frameworks

Francesca Catherine Firth, Michael Gaultois, Yue Wu, Joshua Stratford, Dean Keeble, Clare Grey, Matthew Cliffe

Transient Domain Structure of Coalescence-Induced Self-Organization in Droplet Phase Separation

Che-Min Chou, Wei-Tsung Chuang, Po-Da Hong

SAXS-revealed nanostructures of poly(ethylene glycol)-grafted phospholipid vescicles

Chun-jen Su

Introduction to session

Matteo Bosi, Adela Rodríguez-Romero

1D Nanowires of 2D Layered Materials: A New Frontier in Nanomaterials

Eli Sutter, Peter Sutter

Advances in organic 2D crystals

Xinliang Feng

Crystal growth and characterisation of organic-inorganic lead-free 2D double perovskite for application in radiation sensin

Valeria Murgulov, Catherine Schweinle, Michael Daub, Harald Hillebrecht, Michael Fiederle

Determination of stress, cracks and defects density in crystals after wafer-bonding processes: a novel HRXRD – X-ray micro CT conjoint analytical approach

Aurelio Borzì, Robert Zboray, Simone Dolabella, Alex Dommann, Antonia Neels

Crystallography online by the Bilbao Crystallographic Server: new computer tools for the study of layer and multi-layer materials

Gemma de la Flor, Emre Tasci, Luis Elcoro, Gotzon Madriaga, Juan Manuel Perez-Mato, Yuri E. Kitaev, Robert Evarestov, Mois I. Aroyo