ReviewJournal of chemical theory and computation2023
CRYSTAL23: A Program for Computational Solid State Physics and Chemistry.
Review in Journal of chemical theory and computation, 2023. The graph could read no effect estimate from its abstract, so it casts no vote on the map. Cited by 87 papers.
What it found
Each row is one number read from the abstract, on the scale the paper reported it, with its interval. Left of the dashed line favours the treatment, right favours the comparator. Under each row is the sentence it came from. New to these charts? A ten-minute tutorial.
The abstract states no effect estimate the extractor could read, or names no intervention and outcome on the map, so this paper lights no cell and moves no belief. It is still indexed, cited and linked below.
The trial behind it
Trials whose registry record cites this paper, or whose number appears in the abstract. A trial that started after this paper was published is citing it as background, not reporting it.
Neither the registry nor the abstract names a trial number. If this is a trial report, that itself is worth knowing.
Who cites it
87 citing papers in PubMed.
- Insights Into the Oxygen Evolution Reaction on an Mn-Bearing Hematite Electrocatalyst in an Acidic Electrolyte.ChemSusChem · 2026Article
- Structure of metaraminol hydrogen tartrate from synchrotron X-ray data and density functional theory calculations.Acta crystallographica. Section E, Crystallographic communications · 2026Article
- First-Principles Calculations of Structural, Electronic, Optical, Vibrational, Dielectric, and Elastic Properties of Tetragonal MgNanomaterials (Basel, Switzerland) · 2026Article
- Terahertz dynamics at the actinide frontier: linking low-frequency vibrations, electronic structure, and bonding in molecular uranium complexes.Chemical science · 2026Article
- Crystal structure of seladelpar, CActa crystallographica. Section E, Crystallographic communications · 2026Article
- Carbon dioxide reduction catalyzed by a photoactive bimetallic zirconium/cerium metal-organic framework built with a (thieno)thiophene linker.Journal of materials chemistry. A · 2026Article
- Preparation and Characterization of Oxalyl Dicyanide.Inorganic chemistry · 2026Article
- Crystal structure of clofarabine (form I), CActa crystallographica. Section E, Crystallographic communications · 2026Article
- Crystal structure of the (1Acta crystallographica. Section E, Crystallographic communications · 2026Article
- Adiabatic Connection Correlation Functionals in Metallic Solids from Hartree-Fock Gaussian Basis Set Ground State.The journal of physical chemistry letters · 2026Article
- Crystal structure of binimetinib (Form A), CActa crystallographica. Section E, Crystallographic communications · 2026Article
- Avutometinib.Acta crystallographica. Section E, Crystallographic communications · 2026Article
- Levosimendan Form I, CActa crystallographica. Section E, Crystallographic communications · 2026Article
- Crystal structure of sunvozertinib, CActa crystallographica. Section E, Crystallographic communications · 2026Article
- Midodrine hydro-chloride Form A, CActa crystallographica. Section E, Crystallographic communications · 2026Article
- Sustainable treatment of banana leaves for phytosanitary applications: impact, spreading, and impregnation of mineral oil.Pest management science · 2026Article
- Adiabatic Connection Methods Applied to Molecular Crystals.Journal of chemical theory and computation · 2026Article
- Antifluorite-derived LiCatalysis science & technology · 2026Article
- Tuning of Electron-Donating Metal-Organic Frameworks toward High-Performance Triboelectric Nanogenerators for Self-Powered Shear Sensing.ACS applied materials & interfaces · 2026Article
- Bepostastine besylate.IUCrData · 2026Article
27 more citing papers are in PubMed but not listed here.
Corrections and comments
PubMed lists nothing against this paper. Absence here is not a guarantee, only a check that was made.
Authors and funding
15 authors.
Funding
No grant is acknowledged in the PubMed record.
Abstract
The Crystal program for quantum-mechanical simulations of materials has been bridging the realm of molecular quantum chemistry to the realm of solid state physics for many years, since its first public version released back in 1988. This peculiarity stems from the use of atom-centered basis functions within a linear combination of atomic orbitals (LCAO) approach and from the corresponding efficiency in the evaluation of the exact Fock exchange series. In particular, this has led to the implementation of a rich variety of hybrid density functional approximations since 1998. Nowadays, it is acknowledged by a broad community of solid state chemists and physicists that the inclusion of a fraction of Fock exchange in the exchange-correlation potential of the density functional theory is key to a better description of many properties of materials (electronic, magnetic, mechanical, spintronic, lattice-dynamical, etc.). Here, the main developments made to the program in the last five years (i.e., since the previous release, Crystal17) are presented and some of their most noteworthy applications reviewed.
Identifiers
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Registered trials
Read under generation 80e0d062 · epoch 390. Bibliography from PubMed, PubMed Central and OpenAlex; grants from NIH RePORTER; trial links from ClinicalTrials.gov; estimates, votes and beliefs from the OpenQuestion graph.