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 *

81 related articles for article (PubMed ID: 17672440)

  • 1. Complete gas-phase proton microaffinity analysis of two bulky polyamine molecules.
    Salehzadeh S; Bayat M; Hashemi M
    J Phys Chem A; 2007 Aug; 111(33):8188-92. PubMed ID: 17672440
    [TBL] [Abstract][Full Text] [Related]  

  • 2. First reported correlation between the calculated gas-phase proton macroaffinities of some metal complexes with their measured formation constants in solution: Zn(II) complexes of a series of tripodal aliphatic tetraamines.
    Salehzadeh S; Bayat M; Ward MD
    J Phys Chem A; 2008 May; 112(17):4090-4. PubMed ID: 18348546
    [TBL] [Abstract][Full Text] [Related]  

  • 3. Theoretical studies on the first proton macroaffinity of Ni(II), Cu(II), Zn(II) and Cd(II) complexes of four triazacycloalkanes ([X]ane N3, X = 9-12): good correlations with the formation constants in solution.
    Salehzadeh S; Shooshtari A; Bayat M
    Dalton Trans; 2009 Apr; (15):2865-70. PubMed ID: 19333512
    [TBL] [Abstract][Full Text] [Related]  

  • 4. 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]  

  • 5. FT-IR, NIR-FT-Raman and gas phase infrared spectra of 3-aminoacetophenone by density functional theory and ab initio Hartree-Fock calculations.
    Subramanian MK; Anbarasan PM; Ilangovan V; Babu SM
    Spectrochim Acta A Mol Biomol Spectrosc; 2008 Nov; 71(1):59-67. PubMed ID: 18178129
    [TBL] [Abstract][Full Text] [Related]  

  • 6. Coverage of dynamic correlation effects by density functional theory functionals: density-based analysis for neon.
    Jankowski K; Nowakowski K; Grabowski I; Wasilewski J
    J Chem Phys; 2009 Apr; 130(16):164102. PubMed ID: 19405556
    [TBL] [Abstract][Full Text] [Related]  

  • 7. Ab initio calculations on low-energy conformers of alpha-cyclodextrin.
    Anconi CP; Nascimento CS; Fedoce-Lopes J; Dos Santos HF; De Almeida WB
    J Phys Chem A; 2007 Dec; 111(48):12127-35. PubMed ID: 17997539
    [TBL] [Abstract][Full Text] [Related]  

  • 8. Electron super-rich radicals in the gas phase. A neutralization-reionization mass spectrometric and ab initio/RRKM study of diaminohydroxymethyl and triaminomethyl radicals.
    Hao C; Seymour JL; Turecek F
    J Phys Chem A; 2007 Sep; 111(36):8829-43. PubMed ID: 17705355
    [TBL] [Abstract][Full Text] [Related]  

  • 9. Pseudo-Jahn-Teller origin of the low barrier hydrogen bond in N(2)H(7) (+).
    García-Fernández P; García-Canales L; García-Lastra JM; Junquera J; Moreno M; Aramburu JA
    J Chem Phys; 2008 Sep; 129(12):124313. PubMed ID: 19045029
    [TBL] [Abstract][Full Text] [Related]  

  • 10. Ab initio studies on nanoscale friction between graphite layers: effect of model size and level of theory.
    Neitola R; Ruuska H; Pakkanen TA
    J Phys Chem B; 2005 May; 109(20):10348-54. PubMed ID: 16852254
    [TBL] [Abstract][Full Text] [Related]  

  • 11. Enabling ab initio Hessian and frequency calculations of large molecules.
    Rahalkar AP; Ganesh V; Gadre SR
    J Chem Phys; 2008 Dec; 129(23):234101. PubMed ID: 19102520
    [TBL] [Abstract][Full Text] [Related]  

  • 12. DFT-UX3LYP studies on the coordination chemistry of Ni2+. Part 1: Six coordinate [Ni(NH3)n(H2O)(6-n)]2+ complexes.
    Varadwaj PR; Cukrowski I; Marques HM
    J Phys Chem A; 2008 Oct; 112(42):10657-66. PubMed ID: 18823109
    [TBL] [Abstract][Full Text] [Related]  

  • 13. Evaluation of the enthalpy of formation, proton affinity, and gas-phase basicity of gamma-butyrolactone and 2-pyrrolidinone by isodesmic reactions.
    Vessecchi R; Galembeck SE
    J Phys Chem A; 2008 May; 112(17):4060-6. PubMed ID: 18380497
    [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. Experimental and CIS, TD-DFT, ab initio calculations of visible spectra and the vibrational frequencies of sulfonyl azide-azoic dyes.
    Teimouri A; Chermahini AN; Taban K; Dabbagh HA
    Spectrochim Acta A Mol Biomol Spectrosc; 2009 Mar; 72(2):369-77. PubMed ID: 19042151
    [TBL] [Abstract][Full Text] [Related]  

  • 16. Theoretical predictions of nuclear magnetic resonance parameters in a novel organo-xenon species: chemical shifts and nuclear quadrupole couplings in HXeCCH.
    Straka M; Lantto P; Räsänen M; Vaara J
    J Chem Phys; 2007 Dec; 127(23):234314. PubMed ID: 18154389
    [TBL] [Abstract][Full Text] [Related]  

  • 17. Rotationally invariant ab initio evaluation of Coulomb and exchange parameters for DFT+U calculations.
    Mosey NJ; Liao P; Carter EA
    J Chem Phys; 2008 Jul; 129(1):014103. PubMed ID: 18624466
    [TBL] [Abstract][Full Text] [Related]  

  • 18. Density functional theory in prediction of four stepwise protonation constants for nitrilotripropanoic acid (NTPA).
    Govender KK; Cukrowski I
    J Phys Chem A; 2009 Apr; 113(15):3639-47. PubMed ID: 19309100
    [TBL] [Abstract][Full Text] [Related]  

  • 19. The structure and binding energies of the van der Waals complexes of Ar and N2 with phenol and its cation, studied by high level ab initio and density functional theory calculations.
    Vincent MA; Hillier IH; Morgado CA; Burton NA; Shan X
    J Chem Phys; 2008 Jan; 128(4):044313. PubMed ID: 18247955
    [TBL] [Abstract][Full Text] [Related]  

  • 20. Ab-initio simulations of materials using VASP: Density-functional theory and beyond.
    Hafner J
    J Comput Chem; 2008 Oct; 29(13):2044-78. PubMed ID: 18623101
    [TBL] [Abstract][Full Text] [Related]  

    [Next]    [New Search]
    of 5.