BIOMARKERS

Molecular Biopsy of Human Tumors

- a resource for Precision Medicine *

112 related articles for article (PubMed ID: 23360416)

  • 1. Evaluation of absolute hardness: a new approach.
    Noorizadeh S; Parsa H
    J Phys Chem A; 2013 Feb; 117(5):939-46. PubMed ID: 23360416
    [TBL] [Abstract][Full Text] [Related]  

  • 2. Vibrational quenching of excitonic splittings in H-bonded molecular dimers: the electronic Davydov splittings cannot match experiment.
    Ottiger P; Leutwyler S; Köppel H
    J Chem Phys; 2012 May; 136(17):174308. PubMed ID: 22583231
    [TBL] [Abstract][Full Text] [Related]  

  • 3. On the validity of the maximum hardness principle and the minimum electrophilicity principle during chemical reactions.
    Pan S; Solà M; Chattaraj PK
    J Phys Chem A; 2013 Feb; 117(8):1843-52. PubMed ID: 23373511
    [TBL] [Abstract][Full Text] [Related]  

  • 4. Use of nuclear stiffness in search for a maximum hardness principle and for the softest states along the chemical reaction path: a new formula for the energy third derivative gamma.
    Ordon P; Tachibana A
    J Chem Phys; 2007 Jun; 126(23):234115. PubMed ID: 17600412
    [TBL] [Abstract][Full Text] [Related]  

  • 5. Hardness maximization or equalization? New insights and quantitative relations between hardness increase and bond dissociation energy.
    von Szentpály L
    J Mol Model; 2017 Jul; 23(7):217. PubMed ID: 28669126
    [TBL] [Abstract][Full Text] [Related]  

  • 6. A new scale of electronegativity based on electrophilicity index.
    Noorizadeh S; Shakerzadeh E
    J Phys Chem A; 2008 Apr; 112(15):3486-91. PubMed ID: 18331007
    [TBL] [Abstract][Full Text] [Related]  

  • 7. Statistical Significance of the Maximum Hardness Principle Applied to Some Selected Chemical Reactions.
    Saha R; Pan S; Chattaraj PK
    Molecules; 2016 Nov; 21(11):. PubMed ID: 27827967
    [TBL] [Abstract][Full Text] [Related]  

  • 8. Chemical hardness: Temperature dependent definitions and reactivity principles.
    Miranda-Quintana RA; Franco-Pérez M; Gázquez JL; Ayers PW; Vela A
    J Chem Phys; 2018 Sep; 149(12):124110. PubMed ID: 30278682
    [TBL] [Abstract][Full Text] [Related]  

  • 9. Hard and soft acids and bases: atoms and atomic ions.
    Reed JL
    Inorg Chem; 2008 Jul; 47(13):5591-600. PubMed ID: 18510287
    [TBL] [Abstract][Full Text] [Related]  

  • 10. Universal method to calculate the stability, electronegativity, and hardness of dianions.
    von Szentpály L
    J Phys Chem A; 2010 Oct; 114(40):10891-6. PubMed ID: 20845955
    [TBL] [Abstract][Full Text] [Related]  

  • 11. Analogies and differences between two ways to evaluate the global hardness.
    Torrent-Sucarrat M; Geerlings P
    J Chem Phys; 2006 Dec; 125(24):244101. PubMed ID: 17199334
    [TBL] [Abstract][Full Text] [Related]  

  • 12. Chemical hardness and the discontinuity of the Kohn-Sham exchange-correlation potential.
    Gázquez JL; Garza J; Hinojosa FD; Vela A
    J Chem Phys; 2007 Jun; 126(21):214105. PubMed ID: 17567188
    [TBL] [Abstract][Full Text] [Related]  

  • 13. On the foundations of chemical reactivity theory.
    Cohen MH; Wasserman A
    J Phys Chem A; 2007 Mar; 111(11):2229-42. PubMed ID: 17388293
    [TBL] [Abstract][Full Text] [Related]  

  • 14. Applicability of hybrid density functional theory methods to calculation of molecular hyperpolarizability.
    Suponitsky KY; Tafur S; Masunov AE
    J Chem Phys; 2008 Jul; 129(4):044109. PubMed ID: 18681636
    [TBL] [Abstract][Full Text] [Related]  

  • 15. A new approach to local hardness.
    Gál T; Geerlings P; De Proft F; Torrent-Sucarrat M
    Phys Chem Chem Phys; 2011 Sep; 13(33):15003-15. PubMed ID: 21792396
    [TBL] [Abstract][Full Text] [Related]  

  • 16. On the applicability of the HSAB principle through the use of improved computational schemes for chemical hardness evaluation.
    Putz MV; Russo N; Sicilia E
    J Comput Chem; 2004 May; 25(7):994-1003. PubMed ID: 15027111
    [TBL] [Abstract][Full Text] [Related]  

  • 17. The Woodward-Hoffmann rules reinterpreted by conceptual density functional theory.
    Geerlings P; Ayers PW; Toro-Labbé A; Chattaraj PK; De Proft F
    Acc Chem Res; 2012 May; 45(5):683-95. PubMed ID: 22283422
    [TBL] [Abstract][Full Text] [Related]  

  • 18. Structures of the hexafluorocyclopropane, octafluorocyclobutane, and decafluorocyclopentane radical anions probed by experimental and computational studies of anisotropic electron spin resonance (ESR) spectra.
    Shiotani M; Lund A; Lunell S; Williams F
    J Phys Chem A; 2007 Jan; 111(2):321-38. PubMed ID: 17214470
    [TBL] [Abstract][Full Text] [Related]  

  • 19. The limitations of Slater's element-dependent exchange functional from analytic density-functional theory.
    Zope RR; Dunlap BI
    J Chem Phys; 2006 Jan; 124(4):044107. PubMed ID: 16460149
    [TBL] [Abstract][Full Text] [Related]  

  • 20. Vibrational investigation, molecular orbital studies and molecular electrostatic potential map analysis on 3-chlorobenzoic acid using hybrid computational calculations.
    Ramalingam S; Babu PD; Periandy S; Fereyduni E
    Spectrochim Acta A Mol Biomol Spectrosc; 2011 Dec; 84(1):210-20. PubMed ID: 21993254
    [TBL] [Abstract][Full Text] [Related]  

    [Next]    [New Search]
    of 6.