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 *

114 related articles for article (PubMed ID: 30927878)

  • 1. Exploration of the potential energy surface of the ethanol hexamer.
    Malloum A; Fifen JJ; Conradie J
    J Chem Phys; 2019 Mar; 150(12):124308. PubMed ID: 30927878
    [TBL] [Abstract][Full Text] [Related]  

  • 2. 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]  

  • 3. 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]  

  • 4. Accurate description of intermolecular interactions involving ions using symmetry-adapted perturbation theory.
    Lao KU; Schäffer R; Jansen G; Herbert JM
    J Chem Theory Comput; 2015 Jun; 11(6):2473-86. PubMed ID: 26575547
    [TBL] [Abstract][Full Text] [Related]  

  • 5. Ge3H(n)- anions (n = 0-5) and their neutral analogues: a theoretical investigation on the structure, stability, and thermochemistry.
    Antoniotti P; Borocci S; Grandinetti F
    J Phys Chem A; 2006 Aug; 110(30):9429-37. PubMed ID: 16869693
    [TBL] [Abstract][Full Text] [Related]  

  • 6. Isomers of the uracil dimer: an ab initio benchmark study.
    Frey JA; Müller A; Losada M; Leutwyler S
    J Phys Chem B; 2007 Apr; 111(13):3534-42. PubMed ID: 17388514
    [TBL] [Abstract][Full Text] [Related]  

  • 7. Estimated MP2 and CCSD(T) interaction energies of n-alkane dimers at the basis set limit: comparison of the methods of Helgaker et al. and Feller.
    Tsuzuki S; Honda K; Uchimaru T; Mikami M
    J Chem Phys; 2006 Mar; 124(11):114304. PubMed ID: 16555885
    [TBL] [Abstract][Full Text] [Related]  

  • 8. Free energy and enthalpy data of neutral and protonated clusters in the solvent phase.
    Malloum A; Conradie J
    Data Brief; 2021 Aug; 37():107144. PubMed ID: 34113699
    [TBL] [Abstract][Full Text] [Related]  

  • 9. High-level ab initio calculations for the four low-lying families of minima of (H2O)20. I. Estimates of MP2/CBS binding energies and comparison with empirical potentials.
    Fanourgakis GS; Aprà E; Xantheas SS
    J Chem Phys; 2004 Aug; 121(6):2655-63. PubMed ID: 15281866
    [TBL] [Abstract][Full Text] [Related]  

  • 10. The DBH24/08 Database and Its Use to Assess Electronic Structure Model Chemistries for Chemical Reaction Barrier Heights.
    Zheng J; Zhao Y; Truhlar DG
    J Chem Theory Comput; 2009 Apr; 5(4):808-21. PubMed ID: 26609587
    [TBL] [Abstract][Full Text] [Related]  

  • 11. Structural studies of the water hexamer.
    Hincapié G; Acelas N; Castaño M; David J; Restrepo A
    J Phys Chem A; 2010 Jul; 114(29):7809-14. PubMed ID: 20590081
    [TBL] [Abstract][Full Text] [Related]  

  • 12. Full-dimensional, ab initio potential energy and dipole moment surfaces for water.
    Wang Y; Shepler BC; Braams BJ; Bowman JM
    J Chem Phys; 2009 Aug; 131(5):054511. PubMed ID: 19673578
    [TBL] [Abstract][Full Text] [Related]  

  • 13. Solvation energies of the proton in methanol revisited and temperature effects.
    Malloum A; Fifen JJ; Conradie J
    Phys Chem Chem Phys; 2018 Nov; 20(46):29184-29206. PubMed ID: 30427006
    [TBL] [Abstract][Full Text] [Related]  

  • 14. Structure and binding energy of the H
    Lemke KH
    J Chem Phys; 2017 Jun; 146(23):234301. PubMed ID: 28641437
    [TBL] [Abstract][Full Text] [Related]  

  • 15. A Resolution-Of-The-Identity Implementation of the Local Triatomics-In-Molecules Model for Second-Order Møller-Plesset Perturbation Theory with Application to Alanine Tetrapeptide Conformational Energies.
    DiStasio RA; Jung Y; Head-Gordon M
    J Chem Theory Comput; 2005 Sep; 1(5):862-76. PubMed ID: 26641903
    [TBL] [Abstract][Full Text] [Related]  

  • 16. Ab initio study of hydrogen-bond formation between aliphatic and phenolic hydroxy groups and selected amino acid side chains.
    Nagy PI; Erhardt PW
    J Phys Chem A; 2008 May; 112(18):4342-54. PubMed ID: 18373368
    [TBL] [Abstract][Full Text] [Related]  

  • 17. True stabilization energies for the optimal planar hydrogen-bonded and stacked structures of guanine...cytosine, adenine...thymine, and their 9- and 1-methyl derivatives: complete basis set calculations at the MP2 and CCSD(T) levels and comparison with experiment.
    Jurecka P; Hobza P
    J Am Chem Soc; 2003 Dec; 125(50):15608-13. PubMed ID: 14664608
    [TBL] [Abstract][Full Text] [Related]  

  • 18. Structure of the boronic acid dimer and the relative stabilities of its conformers.
    Larkin JD; Bhat KL; Markham GD; Brooks BR; Schaefer HF; Bock CW
    J Phys Chem A; 2006 Sep; 110(36):10633-42. PubMed ID: 16956246
    [TBL] [Abstract][Full Text] [Related]  

  • 19. An improved algorithm for analytical gradient evaluation in resolution-of-the-identity second-order Møller-Plesset perturbation theory: application to alanine tetrapeptide conformational analysis.
    Distasio RA; Steele RP; Rhee YM; Shao Y; Head-Gordon M
    J Comput Chem; 2007 Apr; 28(5):839-56. PubMed ID: 17219361
    [TBL] [Abstract][Full Text] [Related]  

  • 20. Breaking the bottleneck: Use of molecular tailoring approach for the estimation of binding energies at MP2/CBS limit for large water clusters.
    Singh G; Nandi A; Gadre SR
    J Chem Phys; 2016 Mar; 144(10):104102. PubMed ID: 26979676
    [TBL] [Abstract][Full Text] [Related]  

    [Next]    [New Search]
    of 6.