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 *

108 related articles for article (PubMed ID: 24584418)

  • 1. On the origin of the substantial stabilisation of the electron-donor 1,3-dithiole-2-thione-4-carboxyclic acid···I2 and DABCO···I2 complexes.
    Deepa P; Sedlak R; Hobza P
    Phys Chem Chem Phys; 2014 Apr; 16(14):6679-86. PubMed ID: 24584418
    [TBL] [Abstract][Full Text] [Related]  

  • 2. Halogen bonds in crystal TTF derivatives: an ab initio quantum mechanical study.
    Deepa P; Pandiyan BV; Kolandaivel P; Hobza P
    Phys Chem Chem Phys; 2014 Feb; 16(5):2038-47. PubMed ID: 24343344
    [TBL] [Abstract][Full Text] [Related]  

  • 3. On the nature of stabilization in weak, medium, and strong charge-transfer complexes: CCSD(T)/CBS and SAPT calculations.
    Karthikeyan S; Sedlak R; Hobza P
    J Phys Chem A; 2011 Sep; 115(34):9422-8. PubMed ID: 21375294
    [TBL] [Abstract][Full Text] [Related]  

  • 4. Characteristics of a σ-Hole and the Nature of a Halogen Bond.
    Kolář MH; Deepa P; Ajani H; Pecina A; Hobza P
    Top Curr Chem; 2015; 359():1-25. PubMed ID: 25791483
    [TBL] [Abstract][Full Text] [Related]  

  • 5. On the nature of the stabilization of benzene···dihalogen and benzene···dinitrogen complexes: CCSD(T)/CBS and DFT-SAPT calculations.
    Munusamy E; Sedlak R; Hobza P
    Chemphyschem; 2011 Dec; 12(17):3253-61. PubMed ID: 21997842
    [TBL] [Abstract][Full Text] [Related]  

  • 6. Stabilisation energy of C(6)H(6)...C(6)X(6) (X = F, Cl, Br, I, CN) complexes: complete basis set limit calculations at MP2 and CCSD(T) levels.
    Pluhácková K; Jurecka P; Hobza P
    Phys Chem Chem Phys; 2007 Feb; 9(6):755-60. PubMed ID: 17268688
    [TBL] [Abstract][Full Text] [Related]  

  • 7. Why Is the L-Shaped Structure of X
    Sedlak R; Deepa P; Hobza P
    J Phys Chem A; 2014 May; 118(21):3846-3855. PubMed ID: 24796278
    [TBL] [Abstract][Full Text] [Related]  

  • 8. 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]  

  • 9. The strength and directionality of a halogen bond are co-determined by the magnitude and size of the σ-hole.
    Kolář M; Hostaš J; Hobza P
    Phys Chem Chem Phys; 2014 Jun; 16(21):9987-96. PubMed ID: 24477636
    [TBL] [Abstract][Full Text] [Related]  

  • 10. Intricacies of Describing Weak Interactions Involving Halogen Atoms within Density Functional Theory.
    Doemer M; Tavernelli I; Rothlisberger U
    J Chem Theory Comput; 2013 Feb; 9(2):955-64. PubMed ID: 26588739
    [TBL] [Abstract][Full Text] [Related]  

  • 11. Density-functional approaches to noncovalent interactions: a comparison of dispersion corrections (DFT-D), exchange-hole dipole moment (XDM) theory, and specialized functionals.
    Burns LA; Vázquez-Mayagoitia A; Sumpter BG; Sherrill CD
    J Chem Phys; 2011 Feb; 134(8):084107. PubMed ID: 21361527
    [TBL] [Abstract][Full Text] [Related]  

  • 12. Borylene complexes (BH)L2 and nitrogen cation complexes (N+)L2: isoelectronic homologues of carbones CL2.
    Celik MA; Sure R; Klein S; Kinjo R; Bertrand G; Frenking G
    Chemistry; 2012 Apr; 18(18):5676-92. PubMed ID: 22434609
    [TBL] [Abstract][Full Text] [Related]  

  • 13. Amine-hydrogen halide complexes: experimental electric dipole moments and a theoretical decomposition of dipole moments and binding energies.
    Brauer CS; Craddock MB; Kilian J; Grumstrup EM; Orilall MC; Mo Y; Gao J; Leopold KR
    J Phys Chem A; 2006 Aug; 110(33):10025-34. PubMed ID: 16913676
    [TBL] [Abstract][Full Text] [Related]  

  • 14. Highly accurate CCSD(T) and DFT-SAPT stabilization energies of H-bonded and stacked structures of the uracil dimer.
    Pitonák M; Riley KE; Neogrády P; Hobza P
    Chemphyschem; 2008 Aug; 9(11):1636-44. PubMed ID: 18574830
    [TBL] [Abstract][Full Text] [Related]  

  • 15. A quantum chemical perspective on the potency of electron donors and acceptors in pnicogen bonds (AS...N, P...N, N...N).
    Palanisamy D
    J Mol Model; 2019 Dec; 26(1):11. PubMed ID: 31834505
    [TBL] [Abstract][Full Text] [Related]  

  • 16. Dispersion interactions of carbohydrates with condensate aromatic moieties: theoretical study on the CH-π interaction additive properties.
    Kozmon S; Matuška R; Spiwok V; Koča J
    Phys Chem Chem Phys; 2011 Aug; 13(31):14215-22. PubMed ID: 21755090
    [TBL] [Abstract][Full Text] [Related]  

  • 17. Halogen bonded complexes between volatile anaesthetics (chloroform, halothane, enflurane, isoflurane) and formaldehyde: a theoretical study.
    Zierkiewicz W; Wieczorek R; Hobza P; Michalska D
    Phys Chem Chem Phys; 2011 Mar; 13(11):5105-13. PubMed ID: 21290074
    [TBL] [Abstract][Full Text] [Related]  

  • 18. The physical chemistry of coordinated aqua-, ammine-, and mixed-ligand Co2+ complexes: DFT studies on the structure, energetics, and topological properties of the electron density.
    Varadwaj PR; Marques HM
    Phys Chem Chem Phys; 2010 Mar; 12(9):2126-38. PubMed ID: 20165761
    [TBL] [Abstract][Full Text] [Related]  

  • 19. 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]  

  • 20. Predicting Energetics of Supramolecular Systems Using the XDM Dispersion Model.
    Otero-de-la-Roza A; Johnson ER
    J Chem Theory Comput; 2015 Sep; 11(9):4033-40. PubMed ID: 26575899
    [TBL] [Abstract][Full Text] [Related]  

    [Next]    [New Search]
    of 6.