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 *

138 related articles for article (PubMed ID: 37306361)

  • 1. An approach based on genetic algorithms and machine learning coupled for studying alloy and molecular clusters by optimizing quantum energy surfaces.
    Rezende UL; De Souza LA; Belchior JC
    J Comput Chem; 2023 Sep; 44(24):1956-1969. PubMed ID: 37306361
    [TBL] [Abstract][Full Text] [Related]  

  • 2. Optimal geometries and harmonic vibrational frequencies of the global minima of water clusters (H2O)n, n = 2-6, and several hexamer local minima at the CCSD(T) level of theory.
    Miliordos E; Aprà E; Xantheas SS
    J Chem Phys; 2013 Sep; 139(11):114302. PubMed ID: 24070285
    [TBL] [Abstract][Full Text] [Related]  

  • 3. Cluster-MLP: An Active Learning Genetic Algorithm Framework for Accelerated Discovery of Global Minimum Configurations of Pure and Alloyed Nanoclusters.
    Raju RK; Sivakumar S; Wang X; Ulissi ZW
    J Chem Inf Model; 2023 Oct; 63(20):6192-6197. PubMed ID: 37824704
    [TBL] [Abstract][Full Text] [Related]  

  • 4. Neural network atomistic potentials for global energy minima search in carbon clusters.
    Tkachenko NV; Tkachenko AA; Nebgen B; Tretiak S; Boldyrev AI
    Phys Chem Chem Phys; 2023 Aug; 25(32):21173-21182. PubMed ID: 37490276
    [TBL] [Abstract][Full Text] [Related]  

  • 5. Proceedings of the Second Workshop on Theory meets Industry (Erwin-Schrödinger-Institute (ESI), Vienna, Austria, 12-14 June 2007).
    Hafner J
    J Phys Condens Matter; 2008 Feb; 20(6):060301. PubMed ID: 21693862
    [TBL] [Abstract][Full Text] [Related]  

  • 6. H·(H2O)n clusters: microsolvation of the hydrogen atom via molecular ab initio gradient embedded genetic algorithm (GEGA).
    Alexandrova AN
    J Phys Chem A; 2010 Dec; 114(48):12591-9. PubMed ID: 21077611
    [TBL] [Abstract][Full Text] [Related]  

  • 7. Application of a quantum genetic algorithm and QTAIM analysis in the study of structural and electronic properties of neutral bimetallic clusters Na
    Silva FT; Rocha-Santos A; Firme CL; De Souza LA; Anjos IC; Belchior JC
    J Mol Model; 2020 Oct; 26(11):317. PubMed ID: 33098445
    [TBL] [Abstract][Full Text] [Related]  

  • 8. Modeling microsolvation clusters with electronic-structure calculations guided by analytical potentials and predictive machine learning techniques.
    Jesus WS; Prudente FV; Marques JMC; Pereira FB
    Phys Chem Chem Phys; 2021 Jan; 23(2):1738-1749. PubMed ID: 33427847
    [TBL] [Abstract][Full Text] [Related]  

  • 9. Theoretical study of small sodium-potassium alloy clusters through genetic algorithm and quantum chemical calculations.
    Silva MX; Galvão BR; Belchior JC
    Phys Chem Chem Phys; 2014 May; 16(19):8895-904. PubMed ID: 24691391
    [TBL] [Abstract][Full Text] [Related]  

  • 10. Calculations on noncovalent interactions and databases of benchmark interaction energies.
    Hobza P
    Acc Chem Res; 2012 Apr; 45(4):663-72. PubMed ID: 22225511
    [TBL] [Abstract][Full Text] [Related]  

  • 11. Linear-Scaling Systematic Molecular Fragmentation Approach for Perturbation Theory and Coupled-Cluster Methods.
    Bozkaya U; Ermiş B
    J Chem Theory Comput; 2022 Sep; 18(9):5349-5359. PubMed ID: 35972734
    [TBL] [Abstract][Full Text] [Related]  

  • 12. An extensive assessment of the performance of pairwise and many-body interaction potentials in reproducing
    Herman KM; Xantheas SS
    Phys Chem Chem Phys; 2023 Mar; 25(10):7120-7143. PubMed ID: 36853239
    [TBL] [Abstract][Full Text] [Related]  

  • 13. Ab initio and analytic intermolecular potentials for Ar-CH(3)OH.
    Tasić U; Alexeev Y; Vayner G; Crawford TD; Windus TL; Hase WL
    Phys Chem Chem Phys; 2006 Oct; 8(40):4678-84. PubMed ID: 17047766
    [TBL] [Abstract][Full Text] [Related]  

  • 14. Stochastic search of the quantum conformational space of small lithium and bimetallic lithium-sodium clusters.
    Pérez JF; Florez E; Hadad CZ; Fuentealba P; Restrepo A
    J Phys Chem A; 2008 Jun; 112(25):5749-55. PubMed ID: 18517180
    [TBL] [Abstract][Full Text] [Related]  

  • 15. Solvation of Li
    Prudente FV; Marques JMC; Pereira FB
    Phys Chem Chem Phys; 2017 Sep; 19(37):25707-25716. PubMed ID: 28913521
    [TBL] [Abstract][Full Text] [Related]  

  • 16. Flexible, ab initio potential, and dipole moment surfaces for water. I. Tests and applications for clusters up to the 22-mer.
    Wang Y; Huang X; Shepler BC; Braams BJ; Bowman JM
    J Chem Phys; 2011 Mar; 134(9):094509. PubMed ID: 21384987
    [TBL] [Abstract][Full Text] [Related]  

  • 17. A New Genetic Algorithm Approach Applied to Atomic and Molecular Cluster Studies.
    Silva FT; Silva MX; Belchior JC
    Front Chem; 2019; 7():707. PubMed ID: 31750290
    [TBL] [Abstract][Full Text] [Related]  

  • 18. Exploration of the potential energy surfaces of small ethanol clusters.
    Malloum A; Fifen JJ; Conradie J
    Phys Chem Chem Phys; 2020 Jun; 22(23):13201-13213. PubMed ID: 32500889
    [TBL] [Abstract][Full Text] [Related]  

  • 19. Nitrous oxide dimer: a new potential energy surface and rovibrational spectrum of the nonpolar isomer.
    Dawes R; Wang XG; Jasper AW; Carrington T
    J Chem Phys; 2010 Oct; 133(13):134304. PubMed ID: 20942536
    [TBL] [Abstract][Full Text] [Related]  

  • 20. Δ-machine learning for potential energy surfaces: A PIP approach to bring a DFT-based PES to CCSD(T) level of theory.
    Nandi A; Qu C; Houston PL; Conte R; Bowman JM
    J Chem Phys; 2021 Feb; 154(5):051102. PubMed ID: 33557535
    [TBL] [Abstract][Full Text] [Related]  

    [Next]    [New Search]
    of 7.