BIOMARKERS

Molecular Biopsy of Human Tumors

- a resource for Precision Medicine *

290 related articles for article (PubMed ID: 17107118)

  • 1. Ab initio quantum chemical investigation of the ground and excited states of salicylic acid dimer.
    Maheshwary S; Lourderaj U; Sathyamurthy N
    J Phys Chem A; 2006 Nov; 110(46):12662-9. PubMed ID: 17107118
    [TBL] [Abstract][Full Text] [Related]  

  • 2. An experimental and theoretical investigation of the photophysics of 1-hydroxy-2-naphthoic acid.
    Mishra H; Maheshwary S; Tripathi HB; Sathyamurthy N
    J Phys Chem A; 2005 Mar; 109(12):2746-54. PubMed ID: 16833586
    [TBL] [Abstract][Full Text] [Related]  

  • 3. Excited state proton transfer in guanine in the gas phase and in water solution: a theoretical study.
    Shukla MK; Leszczynski J
    J Phys Chem A; 2005 Sep; 109(34):7775-80. PubMed ID: 16834154
    [TBL] [Abstract][Full Text] [Related]  

  • 4. Deciphering the photophysics of 5-chlorosalicylic acid: evidence for excited-state intramolecular proton transfer.
    Paul BK; Samanta A; Guchhait N
    Photochem Photobiol Sci; 2010 Jan; 9(1):57-67. PubMed ID: 20062845
    [TBL] [Abstract][Full Text] [Related]  

  • 5. Time-dependent density functional theory study on intramolecular charge transfer and solvent effect of dimethylaminobenzophenone.
    Duan XH; Li XY; He RX; Cheng XM
    J Chem Phys; 2005 Feb; 122(8):84314. PubMed ID: 15836046
    [TBL] [Abstract][Full Text] [Related]  

  • 6. Theoretical investigation of excited states of C(3).
    Terentyev A; Scholz R; Schreiber M; Seifert G
    J Chem Phys; 2004 Sep; 121(12):5767-76. PubMed ID: 15367001
    [TBL] [Abstract][Full Text] [Related]  

  • 7. Vibration-rotation-tunneling levels of the water dimer from an ab initio potential surface with flexible monomers.
    Leforestier C; van Harrevelt R; van der Avoird A
    J Phys Chem A; 2009 Nov; 113(44):12285-94. PubMed ID: 19476322
    [TBL] [Abstract][Full Text] [Related]  

  • 8. Ab initio study of the mechanism for photoinduced Yl-oxygen exchange in uranyl(VI) in acidic aqueous solution.
    Réal F; Vallet V; Wahlgren U; Grenthe I
    J Am Chem Soc; 2008 Sep; 130(35):11742-51. PubMed ID: 18686948
    [TBL] [Abstract][Full Text] [Related]  

  • 9. Theoretical study on the excited-state intramolecular proton transfer in the aromatic schiff base salicylidene methylamine: an electronic structure and quantum dynamical approach.
    Ortiz-Sanchez JM; Gelabert R; Moreno M; Lluch JM
    J Phys Chem A; 2006 Apr; 110(14):4649-56. PubMed ID: 16599431
    [TBL] [Abstract][Full Text] [Related]  

  • 10. Structure and stability of salicylic acid-water complexes and the effect of molecular hydration on the spectral properties of salicylic acid.
    Tiwari AK; Sathyamurthy N
    J Phys Chem A; 2006 May; 110(17):5960-4. PubMed ID: 16640396
    [TBL] [Abstract][Full Text] [Related]  

  • 11. 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]  

  • 12. Equilibrium, photophysical, photochemical, and quantum chemical examination of anionic mercury(II) mono- and bisporphyrins.
    Valicsek Z; Lendvay G; Horváth O
    J Phys Chem B; 2008 Nov; 112(46):14509-24. PubMed ID: 18954102
    [TBL] [Abstract][Full Text] [Related]  

  • 13. An exploration of electronic structure and nuclear dynamics in tropolone: II. The A (1)B2 (pi* pi) excited state.
    Burns LA; Murdock D; Vaccaro PH
    J Chem Phys; 2009 Apr; 130(14):144304. PubMed ID: 19368442
    [TBL] [Abstract][Full Text] [Related]  

  • 14. Quantum chemical study of the photocoloration reaction in the napthoxazine series.
    Maurel F; Aubard J; Millie P; Dognon JP; Rajzmann M; Guglielmetti R; Samat A
    J Phys Chem A; 2006 Apr; 110(14):4759-71. PubMed ID: 16599444
    [TBL] [Abstract][Full Text] [Related]  

  • 15. Ground- and excited-state proton transfer and rotamerism in 2-(2-hydroxyphenyl)-5-phenyl-1,3,4-oxadiazole and its O/"NH or S"-substituted derivatives.
    Yang Z; Yang S; Zhang J
    J Phys Chem A; 2007 Jul; 111(28):6354-60. PubMed ID: 17583324
    [TBL] [Abstract][Full Text] [Related]  

  • 16. 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]  

  • 17. Ground and excited states of the monomer and dimer of certain carboxylic acids.
    Lourderaj U; Giri K; Sathyamurthy N
    J Phys Chem A; 2006 Mar; 110(8):2709-17. PubMed ID: 16494382
    [TBL] [Abstract][Full Text] [Related]  

  • 18. Singlet and triplet excited states and intersystem crossing in free-base porphyrin: TDDFT and DFT/MRCI study.
    Perun S; Tatchen J; Marian CM
    Chemphyschem; 2008 Feb; 9(2):282-92. PubMed ID: 18189251
    [TBL] [Abstract][Full Text] [Related]  

  • 19. A computational study of the ground and excited state structure and absorption spectra of free-base N-confused porphine and free-base N-confused tetraphenylporphyrin.
    Vyas S; Hadad CM; Modarelli DA
    J Phys Chem A; 2008 Jul; 112(29):6533-49. PubMed ID: 18593108
    [TBL] [Abstract][Full Text] [Related]  

  • 20. QM/MM Car-Parrinello molecular dynamics study of the solvent effects on the ground state and on the first excited singlet state of acetone in water.
    Röhrig UF; Frank I; Hutter J; Laio A; VandeVondele J; Rothlisberger U
    Chemphyschem; 2003 Nov; 4(11):1177-82. PubMed ID: 14652995
    [TBL] [Abstract][Full Text] [Related]  

    [Next]    [New Search]
    of 15.