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 *

227 related articles for article (PubMed ID: 21925928)

  • 21. 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]  

  • 22. Molecular modeling of phenothiazine derivatives: self-assembling properties.
    Bende A; Grosu I; Turcu I
    J Phys Chem A; 2010 Dec; 114(47):12479-89. PubMed ID: 21049959
    [TBL] [Abstract][Full Text] [Related]  

  • 23. Influence of molecular geometry, exchange-correlation functional, and solvent effects in the modeling of vertical excitation energies in phthalocyanines using time-dependent density functional theory (TDDFT) and polarized continuum model TDDFT methods: can modern computational chemistry methods explain experimental controversies?
    Nemykin VN; Hadt RG; Belosludov RV; Mizuseki H; Kawazoe Y
    J Phys Chem A; 2007 Dec; 111(50):12901-13. PubMed ID: 18004829
    [TBL] [Abstract][Full Text] [Related]  

  • 24. Ab initio study of the interactions between CO(2) and N-containing organic heterocycles.
    Vogiatzis KD; Mavrandonakis A; Klopper W; Froudakis GE
    Chemphyschem; 2009 Feb; 10(2):374-83. PubMed ID: 19137564
    [TBL] [Abstract][Full Text] [Related]  

  • 25. Charged states of α,ω-dicyano β,β'-dibutylquaterthiophene as studied by in situ ESR UV-vis NIR spectroelectrochemistry.
    Haubner K; Tarábek J; Ziegs F; Lukeš V; Jaehne E; Dunsch L
    J Phys Chem A; 2010 Nov; 114(43):11545-51. PubMed ID: 20932036
    [TBL] [Abstract][Full Text] [Related]  

  • 26. Theoretical study on the molecular structures of X-, α-, and β-types of lithium phthalocyanine dimer.
    Sumimoto M; Kawashima Y; Yokogawa D; Hori K; Fujimoto H
    J Comput Chem; 2011 Nov; 32(14):3062-7. PubMed ID: 21793010
    [TBL] [Abstract][Full Text] [Related]  

  • 27. Ab initio inter-radical potential for p-phenylenediamine radical cation dimer.
    Kamisuki T; Hirose C
    Spectrochim Acta A Mol Biomol Spectrosc; 2000 Oct; 56A(11):2141-8. PubMed ID: 11058059
    [TBL] [Abstract][Full Text] [Related]  

  • 28. Ionized state of hydroperoxy radical-water hydrogen-bonded complex: (HO2-H2O)+.
    Joshi R; Ghanty TK; Naumov S; Mukherjee T
    J Phys Chem A; 2007 Dec; 111(51):13590-4. PubMed ID: 18052134
    [TBL] [Abstract][Full Text] [Related]  

  • 29. Radical cations from dipyridinium derivatives: a combined EPR and DFT study.
    Stipa P
    Spectrochim Acta A Mol Biomol Spectrosc; 2006 Jun; 64(3):653-9. PubMed ID: 16388981
    [TBL] [Abstract][Full Text] [Related]  

  • 30. N-methylformamide-benzene complex as a prototypical peptide N-H...pi hydrogen-bonded system: density functional theory and MP2 studies.
    Cheng J; Kang C; Zhu W; Luo X; Puah CM; Chen K; Shen J; Jiang H
    J Org Chem; 2003 Sep; 68(19):7490-5. PubMed ID: 12968905
    [TBL] [Abstract][Full Text] [Related]  

  • 31. Structure and stability of the [TCNE](2)(2-) dimers in dichloromethane solution: a computational study.
    Garcia-Yoldi I; Miller JS; Novoa JJ
    J Phys Chem A; 2007 Aug; 111(32):8020-7. PubMed ID: 17628054
    [TBL] [Abstract][Full Text] [Related]  

  • 32. Systematic theoretical study of the zero-field splitting in coordination complexes of Mn(III). Density functional theory versus multireference wave function approaches.
    Duboc C; Ganyushin D; Sivalingam K; Collomb MN; Neese F
    J Phys Chem A; 2010 Oct; 114(39):10750-8. PubMed ID: 20828179
    [TBL] [Abstract][Full Text] [Related]  

  • 33. Theoretical determination of the standard reduction potentials of pheophytin-a in N,N-dimethyl formamide and membrane.
    Mehta N; Datta SN
    J Phys Chem B; 2007 Jun; 111(25):7210-7. PubMed ID: 17536851
    [TBL] [Abstract][Full Text] [Related]  

  • 34. Intermolecular potential energy surface for CS2 dimer.
    Farrokhpour H; Mombeini Z; Namazian M; Coote ML
    J Comput Chem; 2011 Apr; 32(5):797-809. PubMed ID: 20941736
    [TBL] [Abstract][Full Text] [Related]  

  • 35. Universal solvation model based on solute electron density and on a continuum model of the solvent defined by the bulk dielectric constant and atomic surface tensions.
    Marenich AV; Cramer CJ; Truhlar DG
    J Phys Chem B; 2009 May; 113(18):6378-96. PubMed ID: 19366259
    [TBL] [Abstract][Full Text] [Related]  

  • 36. Influence of ionization on the conformational preferences of peptide models. Ramachandran surfaces of N-formyl-glycine amide and N-formyl-alanine amide radical cations.
    Gil A; Sodupe M; Bertran J
    J Comput Chem; 2009 Sep; 30(12):1771-84. PubMed ID: 19090571
    [TBL] [Abstract][Full Text] [Related]  

  • 37. Greatly enhanced intermolecular π-dimer formation of a porphyrin trimer radical trications through multiple π bonds.
    Takai A; Gros CP; Barbe JM; Fukuzumi S
    Chemistry; 2011 Mar; 17(12):3420-8. PubMed ID: 21328498
    [TBL] [Abstract][Full Text] [Related]  

  • 38. Cis-cis and trans-perp HOONO: action spectroscopy and isomerization kinetics.
    Fry JL; Nizkorodov SA; Okumura M; Roehl CM; Francisco JS; Wennberg PO
    J Chem Phys; 2004 Jul; 121(3):1432-48. PubMed ID: 15260688
    [TBL] [Abstract][Full Text] [Related]  

  • 39. An alternative approach for the calculation of correlation energy in periodic systems: a hybrid MP2(B3LYP) study of the He-MgO(100) interaction.
    Martinez-Casado R; Mallia G; Harrison NM
    Chem Commun (Camb); 2011 Apr; 47(15):4385-7. PubMed ID: 21390399
    [TBL] [Abstract][Full Text] [Related]  

  • 40. Comparison of density functionals for energy and structural differences between the high- [5T2g: (t2g)4(eg)2] and low- [1A1g: (t2g)6(eg)0] spin states of the hexaquoferrous cation [Fe(H2O)6]2+.
    Fouqueau A; Mer S; Casida ME; Lawson Daku LM; Hauser A; Mineva T; Neese F
    J Chem Phys; 2004 May; 120(20):9473-86. PubMed ID: 15267959
    [TBL] [Abstract][Full Text] [Related]  

    [Previous]   [Next]    [New Search]
    of 12.