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 *

129 related articles for article (PubMed ID: 23247409)

  • 1. On the exponential model for energy with respect to number of electrons.
    Fuentealba P; Cárdenas C
    J Mol Model; 2013 Jul; 19(7):2849-53. PubMed ID: 23247409
    [TBL] [Abstract][Full Text] [Related]  

  • 2. Is hyper-hardness more chemically relevant than expected?
    Morell C; Grand A; Toro-Labbé A; Chermette H
    J Mol Model; 2013 Jul; 19(7):2893-900. PubMed ID: 23475291
    [TBL] [Abstract][Full Text] [Related]  

  • 3. Potentialphilicity and potentialphobicity: Reactivity indicators for external potential changes from density functional reactivity theory.
    Liu S; Li T; Ayers PW
    J Chem Phys; 2009 Sep; 131(11):114106. PubMed ID: 19778099
    [TBL] [Abstract][Full Text] [Related]  

  • 4. On the electrophilic character of molecules through its relation with electronegativity and chemical hardness.
    Islam N; Ghosh DC
    Int J Mol Sci; 2012; 13(2):2160-2175. PubMed ID: 22408445
    [TBL] [Abstract][Full Text] [Related]  

  • 5. On the quality of the hardness kernel and the Fukui function to evaluate the global hardness.
    Torrent-Sucarrat M; Salvador P; Geerlings P; Solà M
    J Comput Chem; 2007 Jan; 28(2):574-83. PubMed ID: 17186480
    [TBL] [Abstract][Full Text] [Related]  

  • 6. FTIR, FT-Raman, UV-Visible spectra and quantum chemical calculations of allantoin molecule and its hydrogen bonded dimers.
    Alam MJ; Ahmad S
    Spectrochim Acta A Mol Biomol Spectrosc; 2015 Feb; 136 Pt B():961-78. PubMed ID: 25459622
    [TBL] [Abstract][Full Text] [Related]  

  • 7. Pseudopotential generation.
    Cao YG; Jiao ZK; Feng SS
    J Zhejiang Univ Sci; 2003; 4(2):207-13. PubMed ID: 12659236
    [TBL] [Abstract][Full Text] [Related]  

  • 8. Development of Prediction Models for the Reactivity of Organic Compounds with Ozone in Aqueous Solution by Quantum Chemical Calculations: The Role of Delocalized and Localized Molecular Orbitals.
    Lee M; Zimmermann-Steffens SG; Arey JS; Fenner K; von Gunten U
    Environ Sci Technol; 2015 Aug; 49(16):9925-35. PubMed ID: 26121114
    [TBL] [Abstract][Full Text] [Related]  

  • 9. DFT study of new bipyrazole derivatives and their potential activity as corrosion inhibitors.
    Wang H; Wang X; Wang H; Wang L; Liu A
    J Mol Model; 2007 Jan; 13(1):147-53. PubMed ID: 16957919
    [TBL] [Abstract][Full Text] [Related]  

  • 10. Hydrogen bonds in galactopyranoside and glucopyranoside: a density functional theory study.
    Mosapour Kotena Z; Behjatmanesh-Ardakani R; Hashim R; Manickam Achari V
    J Mol Model; 2013 Feb; 19(2):589-99. PubMed ID: 22972691
    [TBL] [Abstract][Full Text] [Related]  

  • 11. Is an elementary reaction step really elementary? Theoretical decomposition of asynchronous concerted mechanisms.
    Labet V; Morell C; Toro-Labbé A; Grand A
    Phys Chem Chem Phys; 2010 Apr; 12(16):4142-51. PubMed ID: 20379505
    [TBL] [Abstract][Full Text] [Related]  

  • 12. Topological analysis (BCP) of vibrational spectroscopic studies, docking, RDG, DSSC, Fukui functions and chemical reactivity of 2-methylphenylacetic acid.
    Kavimani M; Balachandran V; Narayana B; Vanasundari K; Revathi B
    Spectrochim Acta A Mol Biomol Spectrosc; 2018 Feb; 190():47-60. PubMed ID: 28898821
    [TBL] [Abstract][Full Text] [Related]  

  • 13. The principle-quantum-number (and the radial-quantum-number) expansion of the correlation energy of two-electron atoms.
    Kutzelnigg W
    Phys Chem Chem Phys; 2008 Jun; 10(23):3460-8. PubMed ID: 18535730
    [TBL] [Abstract][Full Text] [Related]  

  • 14. Vibrational spectra, electronic absorption, nonlinear optical properties, evaluation of bonding, chemical reactivity and thermodynamic properties of ethyl 4-(1-(2-(hydrazinecarbonothioyl)hydrazono)ethyl)-3,5-dimethyl-1H-pyrrole-2-carboxylate molecule by ab initio HF and density functional methods.
    Singh RN; Rawat P; Sahu S
    Spectrochim Acta A Mol Biomol Spectrosc; 2015 Jan; 135():1162-8. PubMed ID: 25168004
    [TBL] [Abstract][Full Text] [Related]  

  • 15. Theoretical study of the local reactivity of electrophiles of the type MPR3(+) (M = Cu, Ag, Au; R = -H, -Me, -Ph).
    Burgos D; Olea-Azar C; Mendizabal F
    J Mol Model; 2012 May; 18(5):2021-9. PubMed ID: 21877156
    [TBL] [Abstract][Full Text] [Related]  

  • 16. Ruling out any electrophilicity equalization principle.
    von Szentpály L
    J Phys Chem A; 2011 Aug; 115(30):8528-31. PubMed ID: 21699180
    [TBL] [Abstract][Full Text] [Related]  

  • 17. Chemical potential, derivative discontinuity, fractional electrons, jump of the Kohn-Sham potential, atoms as thermodynamic open systems, and other (mis)conceptions of the density functional theory of electrons in molecules.
    Baerends EJ
    Phys Chem Chem Phys; 2022 Jun; 24(21):12745-12766. PubMed ID: 35593143
    [TBL] [Abstract][Full Text] [Related]  

  • 18. Molecular structure, vibrational, electronic and thermal properties of 4-vinylcyclohexene by quantum chemical calculations.
    Nagabalasubramanian PB; Periandy S; Karabacak M; Govindarajan M
    Spectrochim Acta A Mol Biomol Spectrosc; 2015 Jun; 145():340-352. PubMed ID: 25795608
    [TBL] [Abstract][Full Text] [Related]  

  • 19. Electromagnetic fields on a quantum scale. I.
    Grimes DM; Grimes CA
    J Nanosci Nanotechnol; 2002 Oct; 2(5):545-55. PubMed ID: 12908293
    [TBL] [Abstract][Full Text] [Related]  

  • 20. Molecular structure and vibrational spectra of N-acetylglycine oligomers and polyglycine I using DFT approach.
    Bee S; Choudhary N; Gupta A; Tandon P
    Biopolymers; 2014 Jul; 101(7):795-813. PubMed ID: 24415066
    [TBL] [Abstract][Full Text] [Related]  

    [Next]    [New Search]
    of 7.