BIOMARKERS

Molecular Biopsy of Human Tumors

- a resource for Precision Medicine *

396 related articles for article (PubMed ID: 25004256)

  • 1. Experimental measurement and theory of substituent effects in π-hydrogen bonding: complexes of substituted phenols with benzene.
    Nikolova V; Ilieva S; Galabov B; Schaefer HF
    J Org Chem; 2014 Aug; 79(15):6823-31. PubMed ID: 25004256
    [TBL] [Abstract][Full Text] [Related]  

  • 2. Electronic properties of hydrogen-bonded complexes of benzene(HCN)(1-4): comparison with benzene(H2O)(1-4).
    Mateus MP; Galamba N; Cabral BJ
    J Phys Chem A; 2011 Nov; 115(46):13714-23. PubMed ID: 21978376
    [TBL] [Abstract][Full Text] [Related]  

  • 3. Theoretical analysis based on X-H bonding strength and electronic properties in red- and blue-shifting hydrogen-bonded X-H···π complexes.
    Donoso-Tauda O; Jaque P; Santos JC
    Phys Chem Chem Phys; 2011 Jan; 13(4):1552-9. PubMed ID: 21116561
    [TBL] [Abstract][Full Text] [Related]  

  • 4. Structure of the indole-benzene dimer revisited.
    Biswal HS; Gloaguen E; Mons M; Bhattacharyya S; Shirhatti PR; Wategaonkar S
    J Phys Chem A; 2011 Sep; 115(34):9485-92. PubMed ID: 21413767
    [TBL] [Abstract][Full Text] [Related]  

  • 5. A proton-shuttle mechanism mediated by the porphyrin in benzene hydroxylation by cytochrome p450 enzymes.
    de Visser SP; Shaik S
    J Am Chem Soc; 2003 Jun; 125(24):7413-24. PubMed ID: 12797816
    [TBL] [Abstract][Full Text] [Related]  

  • 6. MP2, density functional theory, and molecular mechanical calculations of C-H...pi and hydrogen bond interactions in a cellulose-binding module-cellulose model system.
    Mohamed MN; Watts HD; Guo J; Catchmark JM; Kubicki JD
    Carbohydr Res; 2010 Aug; 345(12):1741-51. PubMed ID: 20580346
    [TBL] [Abstract][Full Text] [Related]  

  • 7. Hyperconjugative effects in π-hydrogen bonding: Theory and experiment.
    Galabov B; Nikolova V; Cheshmedzhieva D; Hadjieva B; Schaefer HF
    J Comput Chem; 2018 Apr; 39(10):527-534. PubMed ID: 29114892
    [TBL] [Abstract][Full Text] [Related]  

  • 8. Correlation of ν(OH) spectral shifts of phenol-benzene O-H···π hydrogen-bonded complexes with donor's acidity: a combined matrix isolation, infrared spectroscopy, and quantum chemistry study.
    Banerjee P; Chakraborty T
    J Phys Chem A; 2014 Aug; 118(34):7074-84. PubMed ID: 25068515
    [TBL] [Abstract][Full Text] [Related]  

  • 9. Strong N-H...pi hydrogen bonding in amide-benzene interactions.
    Ottiger P; Pfaffen C; Leist R; Leutwyler S; Bachorz RA; Klopper W
    J Phys Chem B; 2009 Mar; 113(9):2937-43. PubMed ID: 19243205
    [TBL] [Abstract][Full Text] [Related]  

  • 10. Differences in structure, energy, and spectrum between neutral, protonated, and deprotonated phenol dimers: comparison of various density functionals with ab initio theory.
    Kołaski M; Kumar A; Singh NJ; Kim KS
    Phys Chem Chem Phys; 2011 Jan; 13(3):991-1001. PubMed ID: 21063580
    [TBL] [Abstract][Full Text] [Related]  

  • 11. Anharmonic vibrational frequency shifts upon interaction of phenol+ with the open shell ligand O2. The performance of DFT methods versus MP2.
    Kocevski V; Pejov L
    J Phys Chem A; 2012 Mar; 116(8):1939-49. PubMed ID: 22276555
    [TBL] [Abstract][Full Text] [Related]  

  • 12. Magnitude and nature of carbohydrate-aromatic interactions in fucose-phenol and fucose-indole complexes: CCSD(T) level interaction energy calculations.
    Tsuzuki S; Uchimaru T; Mikami M
    J Phys Chem A; 2011 Oct; 115(41):11256-62. PubMed ID: 21812469
    [TBL] [Abstract][Full Text] [Related]  

  • 13. Ab initio quantum mechanics analysis of imidazole C-H...O water hydrogen bonding and a molecular mechanics forcefield correction.
    Ornstein RL; Zheng YJ
    J Biomol Struct Dyn; 1997 Jun; 14(6):657-65. PubMed ID: 9195335
    [TBL] [Abstract][Full Text] [Related]  

  • 14. Density functional theory (B3LYP) study of substituent effects on O-H bond dissociation enthalpies of trans-resveratrol derivatives and the role of intramolecular hydrogen bonds.
    Nazarparvar E; Zahedi M; Klein E
    J Org Chem; 2012 Nov; 77(22):10093-104. PubMed ID: 23078155
    [TBL] [Abstract][Full Text] [Related]  

  • 15. Theoretical study of the structures and vibrational spectra of the hydrogen-bonded systems of 4-cyanophenol with N-bases.
    Dimitrova Y; Tsenov JA
    Spectrochim Acta A Mol Biomol Spectrosc; 2007 Nov; 68(3):454-9. PubMed ID: 17336137
    [TBL] [Abstract][Full Text] [Related]  

  • 16. Theoretical investigation of hydrogen bonds between CO and HNF2, H2NF, and HNO.
    Li AY
    J Phys Chem A; 2006 Sep; 110(37):10805-16. PubMed ID: 16970375
    [TBL] [Abstract][Full Text] [Related]  

  • 17. DFT/B3LYP study of the substituent effect on the reaction enthalpies of the individual steps of single electron transfer-proton transfer and sequential proton loss electron transfer mechanisms of phenols antioxidant action.
    Klein E; Lukes V
    J Phys Chem A; 2006 Nov; 110(44):12312-20. PubMed ID: 17078630
    [TBL] [Abstract][Full Text] [Related]  

  • 18. Blue shifts and unusual intensity changes in the infrared spectra of the enflurane···acetone complexes: spectroscopic and theoretical studies.
    Zierkiewicz W; Czarnik-Matusewicz B; Michalska D
    J Phys Chem A; 2011 Oct; 115(41):11362-8. PubMed ID: 21913646
    [TBL] [Abstract][Full Text] [Related]  

  • 19. O-H···S hydrogen bonds conform to the acid-base formalism.
    Bhattacharyya S; Bhattacherjee A; Shirhatti PR; Wategaonkar S
    J Phys Chem A; 2013 Aug; 117(34):8238-50. PubMed ID: 23947570
    [TBL] [Abstract][Full Text] [Related]  

  • 20. Quantitative assessment of substituent effects on cation-π interactions using molecular electrostatic potential topography.
    Sayyed FB; Suresh CH
    J Phys Chem A; 2011 Aug; 115(33):9300-7. PubMed ID: 21774520
    [TBL] [Abstract][Full Text] [Related]  

    [Next]    [New Search]
    of 20.