BIOMARKERS

Molecular Biopsy of Human Tumors

- a resource for Precision Medicine *

191 related articles for article (PubMed ID: 29431680)

  • 1. Quantum chemical study of the structure, spectroscopy and reactivity of NO
    Linton KA; Wright TG; Besley NA
    Philos Trans A Math Phys Eng Sci; 2018 Mar; 376(2115):. PubMed ID: 29431680
    [TBL] [Abstract][Full Text] [Related]  

  • 2. Ab initio electron correlated studies on the intracluster reaction of NO+ (H2O)(n) → H3O+ (H2O)(n-2) (HONO) (n = 4 and 5).
    Asada T; Nagaoka M; Koseki S
    Phys Chem Chem Phys; 2011 Jan; 13(4):1590-6. PubMed ID: 21103588
    [TBL] [Abstract][Full Text] [Related]  

  • 3. Resolving the HONO formation mechanism in the ionosphere via ab initio molecular dynamic simulations.
    He R; Li L; Zhong J; Zhu C; Francisco JS; Zeng XC
    Proc Natl Acad Sci U S A; 2016 Apr; 113(17):4629-33. PubMed ID: 27071120
    [TBL] [Abstract][Full Text] [Related]  

  • 4. Reactivity of the O
    Sharma S; Wright TG; Besley NA
    Phys Chem Chem Phys; 2018 Oct; 20(40):25931-25938. PubMed ID: 30294744
    [TBL] [Abstract][Full Text] [Related]  

  • 5. Dynamics and structural changes of small water clusters on ionization.
    Lee HM; Kim KS
    J Comput Chem; 2013 Jul; 34(18):1589-97. PubMed ID: 23609128
    [TBL] [Abstract][Full Text] [Related]  

  • 6. Study of Cl(-)(H2O)n (n = 1-4) using basin-hopping method coupled with density functional theory.
    Jiang S; Liu YR; Huang T; Wen H; Xu KM; Zhao WX; Zhang WJ; Huang W
    J Comput Chem; 2014 Jan; 35(2):159-65. PubMed ID: 24318650
    [TBL] [Abstract][Full Text] [Related]  

  • 7. Benchmark Relative Energies for Large Water Clusters with the Generalized Energy-Based Fragmentation Method.
    Yuan D; Li Y; Ni Z; Pulay P; Li W; Li S
    J Chem Theory Comput; 2017 Jun; 13(6):2696-2704. PubMed ID: 28478670
    [TBL] [Abstract][Full Text] [Related]  

  • 8. 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]  

  • 9. Intermolecular potentials of the silane dimer calculated with Hartree-Fock theory, Møller-Plesset perturbation theory, and density functional theory.
    Pai CC; Li AH; Chao SD
    J Phys Chem A; 2007 Nov; 111(46):11922-9. PubMed ID: 17963367
    [TBL] [Abstract][Full Text] [Related]  

  • 10. Reaction Dynamics of NO
    Tachikawa H
    J Phys Chem A; 2022 Jan; 126(1):119-124. PubMed ID: 34962795
    [TBL] [Abstract][Full Text] [Related]  

  • 11. Calculation of electron detachment energies for water cluster anions: an appraisal of electronic structure methods, with application to (H2O)20- AND (H2O)24-.
    Herbert JM; Head-Gordon M
    J Phys Chem A; 2005 Jun; 109(23):5217-29. PubMed ID: 16833879
    [TBL] [Abstract][Full Text] [Related]  

  • 12. Interaction of peroxyformic acid with water molecules: a first-principles study.
    Kulkarni AD; Rai D; Bartolotti LJ; Pathak RK
    J Phys Chem A; 2006 Oct; 110(42):11855-61. PubMed ID: 17048817
    [TBL] [Abstract][Full Text] [Related]  

  • 13. Undissociated versus dissociated structures for water clusters and ammonia-water clusters: (H2O)n and NH3(H2O)n-1 (n = 5, 8, 9, 21). Theoretical study.
    Karthikeyan S; Singh NJ; Kim KS
    J Phys Chem A; 2008 Jul; 112(29):6527-32. PubMed ID: 18578481
    [TBL] [Abstract][Full Text] [Related]  

  • 14. Water Dimer Cation: Density Functional Theory vs Ab Initio Theory.
    Lee HM; Kim KS
    J Chem Theory Comput; 2009 Apr; 5(4):976-81. PubMed ID: 26609606
    [TBL] [Abstract][Full Text] [Related]  

  • 15. Reaction of a charge-separated ONONO2 species with water in the formation of HONO: an MP2 Molecular Dynamics study.
    Varner ME; Finlayson-Pitts BJ; Gerber RB
    Phys Chem Chem Phys; 2014 Mar; 16(10):4483-7. PubMed ID: 24473238
    [TBL] [Abstract][Full Text] [Related]  

  • 16. Structures, energetics, and vibrational spectra of H2O2...(H2O)n, n = 1-6 clusters: Ab initio quantum chemical investigations.
    Kulkarni AD; Pathak RK; Bartolotti LJ
    J Phys Chem A; 2005 May; 109(20):4583-90. PubMed ID: 16833795
    [TBL] [Abstract][Full Text] [Related]  

  • 17. Van der Waals interactions between hydrocarbon molecules and zeolites: periodic calculations at different levels of theory, from density functional theory to the random phase approximation and Møller-Plesset perturbation theory.
    Göltl F; Grüneis A; Bučko T; Hafner J
    J Chem Phys; 2012 Sep; 137(11):114111. PubMed ID: 22998253
    [TBL] [Abstract][Full Text] [Related]  

  • 18. Assessment of multicoefficient correlation methods, second-order Møller-Plesset perturbation theory, and density functional theory for H3O(+)(H2O)n (n = 1-5) and OH(-)(H2O)n (n = 1-4).
    Dahlke EE; Orthmeyer MA; Truhlar DG
    J Phys Chem B; 2008 Feb; 112(8):2372-81. PubMed ID: 18247594
    [TBL] [Abstract][Full Text] [Related]  

  • 19. Enabling Large-Scale Condensed-Phase Hybrid Density Functional Theory Based
    Ko HY; Jia J; Santra B; Wu X; Car R; DiStasio RA
    J Chem Theory Comput; 2020 Jun; 16(6):3757-3785. PubMed ID: 32045232
    [TBL] [Abstract][Full Text] [Related]  

  • 20. Medium-sized [Formula: see text] (n  =  14-20) clusters: a combined study of photoelectron spectroscopy and DFT calculations.
    Wu X; Liang X; Du Q; Zhao J; Chen M; Lin M; Wang J; Yin G; Ma L; King RB; von Issendorff B
    J Phys Condens Matter; 2018 Sep; 30(35):354002. PubMed ID: 30051877
    [TBL] [Abstract][Full Text] [Related]  

    [Next]    [New Search]
    of 10.