Complexity Parameters for Molecular Solids

crystIT: complexity and configurational entropy of crystal structures via information theory

(2021) Clemens Kaußler et al.   JOURNAL OF APPLIED CRYSTALLOGRAPHY

On an extension of Krivovichev's complexity measures

(2020) Wolfgang Hornfeck   Acta Crystallographica A-Foundation and Advances

Polyoxometalate clusters in minerals: review and complexity analysis

(2020) Sergey V. Krivovichev   Acta Crystallographica Section B-Structural Science Crystal Engineering and Materials

X-ray diffraction data as a source of the vibrational free-energy contribution in polymorphic systems

(2019) Phillip Miguel Kofoed et al.   IUCrJ

Crystallographic Analysis of Symmetry-Stability Relations in Atomic Structures

(2019) S. V. Borisov et al.   JOURNAL OF STRUCTURAL CHEMISTRY

Separating the configurational and vibrational entropy contributions in metallic glasses

(2017) Hillary L. Smith et al.   Nature Physics

Packing topology in crystals of proteins and small molecules: a comparison

(2017) Oliviero Carugo et al.   Scientific Reports

Crystal structures as periodic graphs: the topological genome and graph databases

(2016) Olaf Delgado-Friedrichs et al.   STRUCTURAL CHEMISTRY

Structural complexity and configurational entropy of crystals

(2016) Sergey V. Krivovichev   Acta Crystallographica Section B-Structural Science Crystal Engineering and Materials

The Cambridge Structural Database

(2016) Colin R. Groom et al.   Acta Crystallographica Section B-Structural Science Crystal Engineering and Materials

The vibrational and configurational entropy of disordering in Cu3Au

(2015) Artur Benisek et al.   JOURNAL OF ALLOYS AND COMPOUNDS

Intermolecular Bonding Features in Solid Iodine

(2014) Federica Bertolotti et al.   CRYSTAL GROWTH & DESIGN

Applied Topological Analysis of Crystal Structures with the Program Package ToposPro

(2014) Vladislav A. Blatov et al.   CRYSTAL GROWTH & DESIGN

Which Inorganic Structures are the Most Complex?

(2013) Sergey V. Krivovichev   ANGEWANDTE CHEMIE-INTERNATIONAL EDITION

The vibrational and configurational entropy of α-brass

(2013) Artur Benisek et al.   JOURNAL OF CHEMICAL THERMODYNAMICS

Topological complexity of crystal structures: quantitative approach

(2012) Sergey Krivovichev   ACTA CRYSTALLOGRAPHICA SECTION A

A relationship to estimate the excess entropy of mixing: Application in silicate solid solutions and binary alloys

(2012) Artur Benisek et al.   JOURNAL OF ALLOYS AND COMPOUNDS

Crystallography Open Database (COD): an open-access collection of crystal structures and platform for world-wide collaboration

(2011) Saulius Gražulis et al.   NUCLEIC ACIDS RESEARCH

Association CH···π and No van der Waals Contacts at the Lowest Limits of Crystalline Benzene I and II Stability Regions†

(2010) Andrzej Katrusiak et al.   CRYSTAL GROWTH & DESIGN

Vibrational thermodynamics of materials

(2009) Brent Fultz   PROGRESS IN MATERIALS SCIENCE

The Reticular Chemistry Structure Resource (RCSR) Database of, and Symbols for, Crystal Nets

(2008) Michael O’Keeffe et al.   ACCOUNTS OF CHEMICAL RESEARCH

Axiomatic Characterizations of Information Measures

(2008) Imre Csiszár   Entropy