These tools will no longer be maintained as of December 31, 2024. Archived website can be found here. PubMed4Hh GitHub repository can be found here. Contact NLM Customer Service if you have questions.


BIOMARKERS

Molecular Biopsy of Human Tumors

- a resource for Precision Medicine *

118 related articles for article (PubMed ID: 38911834)

  • 1. Reparameterization of GFN1-xTB for atmospheric molecular clusters: applications to multi-acid-multi-base systems.
    Knattrup Y; Kubečka J; Wu H; Jensen F; Elm J
    RSC Adv; 2024 Jun; 14(28):20048-20055. PubMed ID: 38911834
    [TBL] [Abstract][Full Text] [Related]  

  • 2. High-throughput screening of spin states for transition metal complexes with spin-polarized extended tight-binding methods.
    Neugebauer H; Bädorf B; Ehlert S; Hansen A; Grimme S
    J Comput Chem; 2023 Oct; 44(27):2120-2129. PubMed ID: 37401535
    [TBL] [Abstract][Full Text] [Related]  

  • 3. Conformational energies of microsolvated Na
    Otlyotov AA; Minenkov Y
    J Comput Chem; 2022 Oct; 43(27):1856-1863. PubMed ID: 36053781
    [TBL] [Abstract][Full Text] [Related]  

  • 4. Improved Configurational Sampling Protocol for Large Atmospheric Molecular Clusters.
    Wu H; Engsvang M; Knattrup Y; Kubečka J; Elm J
    ACS Omega; 2023 Nov; 8(47):45065-45077. PubMed ID: 38046341
    [TBL] [Abstract][Full Text] [Related]  

  • 5. Toward Modeling the Growth of Large Atmospheric Sulfuric Acid-Ammonia Clusters.
    Engsvang M; Kubečka J; Elm J
    ACS Omega; 2023 Sep; 8(38):34597-34609. PubMed ID: 37779982
    [TBL] [Abstract][Full Text] [Related]  

  • 6. Modeling the Binding Free Energy of Large Atmospheric Sulfuric Acid-Ammonia Clusters.
    Engsvang M; Elm J
    ACS Omega; 2022 Mar; 7(9):8077-8083. PubMed ID: 35284723
    [TBL] [Abstract][Full Text] [Related]  

  • 7. Semiempirical Methods for Molecular Systems in Strong Magnetic Fields.
    Cheng CY; Wibowo-Teale AM
    J Chem Theory Comput; 2023 Sep; 19(18):6226-6241. PubMed ID: 37672773
    [TBL] [Abstract][Full Text] [Related]  

  • 8. Clusterome: A Comprehensive Data Set of Atmospheric Molecular Clusters for Machine Learning Applications.
    Knattrup Y; Kubečka J; Ayoubi D; Elm J
    ACS Omega; 2023 Jul; 8(28):25155-25164. PubMed ID: 37483242
    [TBL] [Abstract][Full Text] [Related]  

  • 9. Assessment of the DLPNO Binding Energies of Strongly Noncovalent Bonded Atmospheric Molecular Clusters.
    Schmitz G; Elm J
    ACS Omega; 2020 Apr; 5(13):7601-7612. PubMed ID: 32280904
    [TBL] [Abstract][Full Text] [Related]  

  • 10. Clusteromics III: Acid Synergy in Sulfuric Acid-Methanesulfonic Acid-Base Cluster Formation.
    Elm J
    ACS Omega; 2022 May; 7(17):15206-15214. PubMed ID: 35572753
    [TBL] [Abstract][Full Text] [Related]  

  • 11. Theoretical study on conformational energies of transition metal complexes.
    Bursch M; Hansen A; Pracht P; Kohn JT; Grimme S
    Phys Chem Chem Phys; 2021 Jan; 23(1):287-299. PubMed ID: 33336657
    [TBL] [Abstract][Full Text] [Related]  

  • 12. Semiautomated Transition State Localization for Organometallic Complexes with Semiempirical Quantum Chemical Methods.
    Dohm S; Bursch M; Hansen A; Grimme S
    J Chem Theory Comput; 2020 Mar; 16(3):2002-2012. PubMed ID: 32074450
    [TBL] [Abstract][Full Text] [Related]  

  • 13. Clusteromics V: Organic Enhanced Atmospheric Cluster Formation.
    Ayoubi D; Knattrup Y; Elm J
    ACS Omega; 2023 Mar; 8(10):9621-9629. PubMed ID: 36936339
    [TBL] [Abstract][Full Text] [Related]  

  • 14. Robust and Efficient Implicit Solvation Model for Fast Semiempirical Methods.
    Ehlert S; Stahn M; Spicher S; Grimme S
    J Chem Theory Comput; 2021 Jul; 17(7):4250-4261. PubMed ID: 34185531
    [TBL] [Abstract][Full Text] [Related]  

  • 15. Performance of GFN1-xTB for periodic optimization of metal organic frameworks.
    Nurhuda M; Perry CC; Addicoat MA
    Phys Chem Chem Phys; 2022 May; 24(18):10906-10914. PubMed ID: 35451436
    [TBL] [Abstract][Full Text] [Related]  

  • 16. Improving the Silicon Interactions of GFN-xTB.
    Komissarov L; Verstraelen T
    J Chem Inf Model; 2021 Dec; 61(12):5931-5937. PubMed ID: 34890199
    [TBL] [Abstract][Full Text] [Related]  

  • 17. Hydration of Atmospheric Molecular Clusters III: Procedure for Efficient Free Energy Surface Exploration of Large Hydrated Clusters.
    Rasmussen FR; Kubečka J; Besel V; Vehkamäki H; Mikkelsen KV; Bilde M; Elm J
    J Phys Chem A; 2020 Jun; 124(25):5253-5261. PubMed ID: 32463668
    [TBL] [Abstract][Full Text] [Related]  

  • 18. Coupled Cluster Benchmarking of Large Noncovalent Complexes in L7 and S12L as Well as the C
    Villot C; Ballesteros F; Wang D; Lao KU
    J Phys Chem A; 2022 Jul; 126(27):4326-4341. PubMed ID: 35766331
    [TBL] [Abstract][Full Text] [Related]  

  • 19. Atmospheric Sulfuric Acid-Multi-Base New Particle Formation Revealed through Quantum Chemistry Enhanced by Machine Learning.
    Kubečka J; Neefjes I; Besel V; Qiao F; Xie HB; Elm J
    J Phys Chem A; 2023 Mar; 127(9):2091-2103. PubMed ID: 36811954
    [TBL] [Abstract][Full Text] [Related]  

  • 20. Efficient Computation of Structural and Electronic Properties of Halide Perovskites Using Density Functional Tight Binding: GFN1-xTB Method.
    Vicent-Luna JM; Apergi S; Tao S
    J Chem Inf Model; 2021 Sep; 61(9):4415-4424. PubMed ID: 34414764
    [TBL] [Abstract][Full Text] [Related]  

    [Next]    [New Search]
    of 6.