ArticleThe journal of physical chemistry. A2025
Overview of Developments in the MRCC Program System.
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Article in The journal of physical chemistry. A, 2025. The graph could read no effect estimate from its abstract, so it casts no vote on the map. Cited by 30 papers.
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30citing papers in PubMed
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Who cites it
30 citing papers in PubMed.
- Pyrazine-embedded N^N^N-chelating tetracoordinate organoboron polycyclic heteroaromatics with low-lying LUMO levels and near-infrared luminescence.Chemical science · 2026Article
- Aromaticity-Localized Square Tetraboron-Extended Multiple-Resonance Emitters With B‒N Covalent Bonds for Highly Efficient Narrowband Electroluminescence.Advanced materials (Deerfield Beach, Fla.) · 2026Article
- Reexamining AlJournal of computational chemistry · 2026Article
- Scalable Correlated Local Approaches for Computing Valence and Core-Level Ionization Energies in Large Molecules.Journal of chemical theory and computation · 2026Article
- Insights to Orientation Dependence of Molecular Conduction Modeled by High-Level Quantum Embedding.Journal of computational chemistry · 2026Article
- Coupled Cluster Free Energies for Atmospheric Molecular Clusters: Benchmark and Matching Experimental Free Energies.ACS omega · 2026Article
- An Efficient Method for Contraction of Property-Oriented Basis Sets: A Considerable Reduction of the pecJ-1 and pecJ-2 Basis Sets for the Calculations of Spin-Spin Coupling Constants Involving H, C, N and F Nuclei.International journal of molecular sciences · 2026Article
- Accurate Atomic Correlation and Total Energies for Correlation-Consistent Effective Core Potentials II: Rb-Xe Elements.Journal of chemical theory and computation · 2026Article
- The Dose Makes the Poison: Perturbative Steps toward the Ultimate Linearized Coupled Cluster Method.Journal of chemical theory and computation · 2026Article
- Addition Reactions of Phosphorus-Centered Radicals Onto Olefins: Interplay Between Stability and Reactivity.Chemistry (Weinheim an der Bergstrasse, Germany) · 2026Article
- Accurate density functional theory for noncovalent interactions in charged systems.Science advances · 2026Article
- Development of Local Natural Orbital Arbitrary Order Coupled Cluster Methods and Assessment through Connected Quadruples.The journal of physical chemistry. A · 2026Article
- Systematically Improvable and Locality Accelerated Enzymatic Reactivity Modeling: Toward Chemical Accuracy at Affordable Cost.Journal of chemical theory and computation · 2026Article
- Accurate Core-Level Ionization Energies from an Affordable Second-Order Approach.Journal of chemical theory and computation · 2026Article
- A Linear-Scaling Integral-Direct Explicitly Correlated Second-Order Møller-Plesset Approach.Journal of chemical theory and computation · 2026Article
- Reimagining o-Carborane-Based Fluorophores: Charge-Transfer from Boron Substituents Triggers Aggregation- and Crystallization-Induced Emission.Angewandte Chemie (International ed. in English) · 2026Article
- A Comparison of Electronic Structure Methods for Predicting the Hydrogenation Energies of Candidate Molecules for Hydrogen Storage.The journal of physical chemistry. A · 2025Article
- Tuning the Excited State Character of Amine/Carbonyl Thermally Activated Delayed Fluorescence Emitters with Ring Fusion.Chemistry (Weinheim an der Bergstrasse, Germany) · 2025Article
- Elucidation of the Ro-Vibrational Band Structures in the Silicon Tetrafluoride Spectra from Accurate Ab Initio Calculations.Molecules (Basel, Switzerland) · 2025Article
- Hybrid DFT Quality Thermochemistry and Environment Effects at GGA Cost via Local Quantum Embedding.Journal of chemical theory and computation · 2025Article
Corrections and comments
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Authors and funding
12 authors.
Dávid MesterDepartment of Physical Chemistry and Materials Science, Faculty of Chemical Technology and Biotechnology, Budapest University of Technology and Economics, Műegyetem rkp. 3., H-1111 Budapest, Hungary.ORCID 0000-0001-6570-2917
Péter R NagyDepartment of Physical Chemistry and Materials Science, Faculty of Chemical Technology and Biotechnology, Budapest University of Technology and Economics, Műegyetem rkp. 3., H-1111 Budapest, Hungary.ORCID 0000-0001-6692-0879
József CsókaDepartment of Physical Chemistry and Materials Science, Faculty of Chemical Technology and Biotechnology, Budapest University of Technology and Economics, Műegyetem rkp. 3., H-1111 Budapest, Hungary.
László Gyevi-NagyDepartment of Physical Chemistry and Materials Science, Faculty of Chemical Technology and Biotechnology, Budapest University of Technology and Economics, Műegyetem rkp. 3., H-1111 Budapest, Hungary.
P Bernát SzabóDepartment of Physical Chemistry and Materials Science, Faculty of Chemical Technology and Biotechnology, Budapest University of Technology and Economics, Műegyetem rkp. 3., H-1111 Budapest, Hungary.ORCID 0000-0003-1824-8322
Réka A HorváthDepartment of Physical Chemistry and Materials Science, Faculty of Chemical Technology and Biotechnology, Budapest University of Technology and Economics, Műegyetem rkp. 3., H-1111 Budapest, Hungary.
Klára PetrovDepartment of Physical Chemistry and Materials Science, Faculty of Chemical Technology and Biotechnology, Budapest University of Technology and Economics, Műegyetem rkp. 3., H-1111 Budapest, Hungary.
Bence HégelyDepartment of Physical Chemistry and Materials Science, Faculty of Chemical Technology and Biotechnology, Budapest University of Technology and Economics, Műegyetem rkp. 3., H-1111 Budapest, Hungary.ORCID 0000-0002-8672-2201
Bence LadóczkiDepartment of Physical Chemistry and Materials Science, Faculty of Chemical Technology and Biotechnology, Budapest University of Technology and Economics, Műegyetem rkp. 3., H-1111 Budapest, Hungary.
Gyula SamuDepartment of Physical Chemistry and Materials Science, Faculty of Chemical Technology and Biotechnology, Budapest University of Technology and Economics, Műegyetem rkp. 3., H-1111 Budapest, Hungary.
Balázs D LőrinczDepartment of Physical Chemistry and Materials Science, Faculty of Chemical Technology and Biotechnology, Budapest University of Technology and Economics, Műegyetem rkp. 3., H-1111 Budapest, Hungary.
Mihály KállayDepartment of Physical Chemistry and Materials Science, Faculty of Chemical Technology and Biotechnology, Budapest University of Technology and Economics, Műegyetem rkp. 3., H-1111 Budapest, Hungary.ORCID 0000-0003-1080-6625
Funding
No grant is acknowledged in the PubMed record.
Abstract
mrcc is a versatile suite of quantum chemistry programs designed for accurate
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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.