BIOMARKERS

Molecular Biopsy of Human Tumors

- a resource for Precision Medicine *

306 related articles for article (PubMed ID: 22339374)

  • 1. Nucleophilic degradation of fenitrothion insecticide and performance of nucleophiles: a computational study.
    Mandal D; Mondal B; Das AK
    J Phys Chem A; 2012 Mar; 116(10):2536-46. PubMed ID: 22339374
    [TBL] [Abstract][Full Text] [Related]  

  • 2. Reactivity of the insecticide fenitrothion toward O and N nucleophiles.
    Rougier NM; Vico RV; de Rossi RH; Buján EI
    J Org Chem; 2010 May; 75(10):3427-36. PubMed ID: 20423065
    [TBL] [Abstract][Full Text] [Related]  

  • 3. 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]  

  • 4. Effect of heteroatom insertion at the side chain of 5-alkyl-1H-tetrazoles on their properties as catalysts for ester hydrolysis at neutral pH.
    Bhattacharya S; Vemula PK
    J Org Chem; 2005 Nov; 70(24):9677-85. PubMed ID: 16292794
    [TBL] [Abstract][Full Text] [Related]  

  • 5. 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]  

  • 6. Antioxidant potential of glutathione: a theoretical study.
    Fiser B; Szori M; Jójárt B; Izsák R; Csizmadia IG; Viskolcz B
    J Phys Chem B; 2011 Sep; 115(38):11269-77. PubMed ID: 21853966
    [TBL] [Abstract][Full Text] [Related]  

  • 7. Aminolysis of a model nerve agent: a computational reaction mechanism study of O,S-dimethyl methylphosphonothiolate.
    Mandal D; Sen K; Das AK
    J Phys Chem A; 2012 Aug; 116(32):8382-96. PubMed ID: 22830557
    [TBL] [Abstract][Full Text] [Related]  

  • 8. Role of the somersault rearrangement in the oxidation step for flavin monooxygenases (FMO). A comparison between FMO and conventional xenobiotic oxidation with hydroperoxides.
    Bach RD
    J Phys Chem A; 2011 Oct; 115(40):11087-100. PubMed ID: 21888352
    [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. Modeling H-bonding and solvent effects in the alkylation of pyrimidine bases by a prototype quinone methide: a DFT study.
    Freccero M; Di Valentin C; Sarzi-Amadè M;
    J Am Chem Soc; 2003 Mar; 125(12):3544-53. PubMed ID: 12643716
    [TBL] [Abstract][Full Text] [Related]  

  • 11. Ab initio and density functional theory reinvestigation of gas-phase sulfuric acid monohydrate and ammonium hydrogen sulfate.
    Kurtén T; Sundberg MR; Vehkamäki H; Noppel M; Blomqvist J; Kulmala M
    J Phys Chem A; 2006 Jun; 110(22):7178-88. PubMed ID: 16737269
    [TBL] [Abstract][Full Text] [Related]  

  • 12. Nature of the N-H...S hydrogen bond.
    Biswal HS; Wategaonkar S
    J Phys Chem A; 2009 Nov; 113(46):12763-73. PubMed ID: 19831376
    [TBL] [Abstract][Full Text] [Related]  

  • 13. Theoretical analysis of gas-phase front-side attack identity S(N)2(C) and S(N)2(Si) reactions with retention of configuration.
    Yang ZZ; Ding YL; Zhao DX
    J Phys Chem A; 2009 May; 113(18):5432-45. PubMed ID: 19354223
    [TBL] [Abstract][Full Text] [Related]  

  • 14. Carbonic acid formation from reaction of carbon dioxide and water coordinated to Al(OH)3: a quantum chemical study.
    Baltrusaitis J; Grassian VH
    J Phys Chem A; 2010 Feb; 114(6):2350-6. PubMed ID: 20104872
    [TBL] [Abstract][Full Text] [Related]  

  • 15. High-level ab initio predictions for the ionization energies and heats of formation of five-membered-ring molecules: thiophene, furan, pyrrole, 1,3-cyclopentadiene, and borole, C4H4X/C4H4X+ (X = S, O, NH, CH2, and BH).
    Lo PK; Lau KC
    J Phys Chem A; 2011 Feb; 115(5):932-9. PubMed ID: 21210670
    [TBL] [Abstract][Full Text] [Related]  

  • 16. Ammonia-water cation and ammonia dimer cation.
    Kim H; Lee HM
    J Phys Chem A; 2009 Jun; 113(25):6859-64. PubMed ID: 19534557
    [TBL] [Abstract][Full Text] [Related]  

  • 17. Solid-state structures and thermal properties of inclusion complexes of the organophosphate insecticide fenitrothion with permethylated cyclodextrins.
    Cruickshank D; Rougier NM; Vico RV; de Rossi RH; Buján EI; Bourne SA; Caira MR
    Carbohydr Res; 2010 Jan; 345(1):141-7. PubMed ID: 19922907
    [TBL] [Abstract][Full Text] [Related]  

  • 18. Microsolvation of thiosulfuric acid and its tautomeric anions [HSSO(3)](-) and [SSO(2)(OH)](-) studied by B3LYP-PCM and G3X(MP2) calculations.
    Steudel R; Steudel Y
    J Phys Chem A; 2009 Sep; 113(36):9920-33. PubMed ID: 19685866
    [TBL] [Abstract][Full Text] [Related]  

  • 19. Electron propagator theory study of N-/O-methylglycine conformers.
    Tian SX
    J Chem Phys; 2005 Dec; 123(24):244310. PubMed ID: 16396540
    [TBL] [Abstract][Full Text] [Related]  

  • 20. O-H...O versus O-H...S hydrogen bonding I: Experimental and computational studies on the p-cresol x H2O and p-cresol x H2S complexes.
    Biswal HS; Shirhatti PR; Wategaonkar S
    J Phys Chem A; 2009 May; 113(19):5633-43. PubMed ID: 19364116
    [TBL] [Abstract][Full Text] [Related]  

    [Next]    [New Search]
    of 16.