ReviewJournal of chemical theory and computation2023
TURBOMOLE: Today and Tomorrow.
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 70 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.
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Who cites it
70 citing papers in PubMed.
- Taming a Blue Gas-Structure and Chemistry of Hexafluorothioacetone.Angewandte Chemie (International ed. in English) · 2026Article
- Molecular Aromaticity from a Magnetic Perspective.The journal of physical chemistry letters · 2026Article
- Tuning phonon transmission via single-atom substituents.Nature materials · 2026Article
- Highly efficient long-range conduction through a biosynthetic nickel-organic framework.Nature communications · 2026Article
- Hybrid HPC and Quantum Computing Framework for Multiscale Modeling of Chemical Systems.Journal of chemical theory and computation · 2026Article
- Access of Adamantane-Type Organotin(IV) Heterochalcogenide Clusters.Inorganic chemistry · 2026Article
- Modeling Xanthophyll Excited States via Cost-Effective Quantum Chemistry methods and Property-Based Diabatization.Journal of chemical theory and computation · 2026Article
- Development of Novel Inhibitors for Alzheimer's Disease fromACS omega · 2026Article
- Asymmetric α-Alkylation With Activated and Unactivated Electrophiles by a Highly Productive and Recyclable Lewis Acid/Imidazolium Catalyst.Angewandte Chemie (International ed. in English) · 2026Article
- A Molecular "Thermometer" for Measuring Effective Non-Local Exchange.Journal of computational chemistry · 2026Article
- An Energy-Corrected Fast Post-SCF Local-Hybrid Scheme for Highly Accurate Energy Differences of Large Main-Group Systems.Journal of computational chemistry · 2026Article
- Adiabatic Connection Correlation Functionals in Metallic Solids from Hartree-Fock Gaussian Basis Set Ground State.The journal of physical chemistry letters · 2026Article
- Separability of the Coupled-Cluster Excited State Equations: The Case of Excitonic Couplings.The journal of physical chemistry. A · 2026Article
- A protein-based model of carbon monoxide dehydrogenase exhibits tunable covalency across cluster oxidation and ligand-bound states.Chemical science · 2026Article
- Self-propelled thiol functionalized SiOScientific reports · 2026Article
- Enhancing Molecular High-Pressure Simulations by Implicit Solvation.The journal of physical chemistry. A · 2026Article
- Change of the aromatic nature through face-to-face stacking.Chemical science · 2026Article
- Systematic Evaluation of a Cluster-Continuum-Model Workflow to Compute the Free Energies of Solvation of Ions in Different Solvents.The journal of physical chemistry. A · 2026Article
- Emissive Liquid Crystalline Boron C,N-Chelates: Synthesis, Self-assembly, and Photophysical Properties.Chemistry (Weinheim an der Bergstrasse, Germany) · 2026Article
- Coupling between Thermochemical Contributions of Subvalence Correlation and of Higher-Order Post-CCSD(T) Correlation Effects─A Step toward "W5 Theory".The journal of physical chemistry. A · 2026Article
10 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
39 authors.
Funding
No grant is acknowledged in the PubMed record.
Abstract
TURBOMOLE is a highly optimized software suite for large-scale quantum-chemical and materials science simulations of molecules, clusters, extended systems, and periodic solids. TURBOMOLE uses Gaussian basis sets and has been designed with robust and fast quantum-chemical applications in mind, ranging from homogeneous and heterogeneous catalysis to inorganic and organic chemistry and various types of spectroscopy, light-matter interactions, and biochemistry. This Perspective briefly surveys TURBOMOLE's functionality and highlights recent developments that have taken place between 2020 and 2023, comprising new electronic structure methods for molecules and solids, previously unavailable molecular properties, embedding, and molecular dynamics approaches. Select features under development are reviewed to illustrate the continuous growth of the program suite, including nuclear electronic orbital methods, Hartree-Fock-based adiabatic connection models, simplified time-dependent density functional theory, relativistic effects and magnetic properties, and multiscale modeling of optical properties.
Identifiers
What OpenQuestion holds
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.