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 *

551 related articles for article (PubMed ID: 20155960)

  • 1. Boryl substitution of acetaldehyde makes it an enol: inconsistency between Gn/CBS and ab initio/DFT data.
    Balabin RM
    J Phys Chem A; 2010 Mar; 114(10):3698-702. PubMed ID: 20155960
    [TBL] [Abstract][Full Text] [Related]  

  • 2. 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]  

  • 3. Ab initio and analytic intermolecular potentials for Ar-CH(3)OH.
    Tasić U; Alexeev Y; Vayner G; Crawford TD; Windus TL; Hase WL
    Phys Chem Chem Phys; 2006 Oct; 8(40):4678-84. PubMed ID: 17047766
    [TBL] [Abstract][Full Text] [Related]  

  • 4. Tautomeric equilibrium and hydrogen shifts in tetrazole and triazoles: focal-point analysis and ab initio limit.
    Balabin RM
    J Chem Phys; 2009 Oct; 131(15):154307. PubMed ID: 20568864
    [TBL] [Abstract][Full Text] [Related]  

  • 5. Ab initio study of hydrogen-bond formation between aliphatic and phenolic hydroxy groups and selected amino acid side chains.
    Nagy PI; Erhardt PW
    J Phys Chem A; 2008 May; 112(18):4342-54. PubMed ID: 18373368
    [TBL] [Abstract][Full Text] [Related]  

  • 6. On the nature of stabilization in weak, medium, and strong charge-transfer complexes: CCSD(T)/CBS and SAPT calculations.
    Karthikeyan S; Sedlak R; Hobza P
    J Phys Chem A; 2011 Sep; 115(34):9422-8. PubMed ID: 21375294
    [TBL] [Abstract][Full Text] [Related]  

  • 7. Thermodynamic properties (enthalpy, bond energy, entropy, and heat capacity) and internal rotor potentials of vinyl alcohol, methyl vinyl ether, and their corresponding radicals.
    da Silva G; Kim CH; Bozzelli JW
    J Phys Chem A; 2006 Jun; 110(25):7925-34. PubMed ID: 16789782
    [TBL] [Abstract][Full Text] [Related]  

  • 8. Highly accurate CCSD(T) and DFT-SAPT stabilization energies of H-bonded and stacked structures of the uracil dimer.
    Pitonák M; Riley KE; Neogrády P; Hobza P
    Chemphyschem; 2008 Aug; 9(11):1636-44. PubMed ID: 18574830
    [TBL] [Abstract][Full Text] [Related]  

  • 9. An ab initio benchmark study of hydrogen bonded formamide dimers.
    Frey JA; Leutwyler S
    J Phys Chem A; 2006 Nov; 110(45):12512-8. PubMed ID: 17091957
    [TBL] [Abstract][Full Text] [Related]  

  • 10. 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]  

  • 11. Two-way effects between hydrogen bond and intramolecular resonance effect: an ab initio study on complexes of formamide and its derivatives with water.
    Liu T; Li H; Huang MB; Duan Y; Wang ZX
    J Phys Chem A; 2008 Jun; 112(24):5436-47. PubMed ID: 18503289
    [TBL] [Abstract][Full Text] [Related]  

  • 12. State of the art theoretical study and comparison to experiment for the phenol...argon complex.
    Cerný J; Tong X; Hobza P; Müller-Dethlefs K
    J Chem Phys; 2008 Mar; 128(11):114319. PubMed ID: 18361583
    [TBL] [Abstract][Full Text] [Related]  

  • 13. Stabilisation energy of C(6)H(6)...C(6)X(6) (X = F, Cl, Br, I, CN) complexes: complete basis set limit calculations at MP2 and CCSD(T) levels.
    Pluhácková K; Jurecka P; Hobza P
    Phys Chem Chem Phys; 2007 Feb; 9(6):755-60. PubMed ID: 17268688
    [TBL] [Abstract][Full Text] [Related]  

  • 14. Quantum chemical calculations of the Cl- + CH3I --> CH3Cl + I- potential energy surface.
    Zhang J; Lourderaj U; Addepalli SV; de Jong WA; Hase WL
    J Phys Chem A; 2009 Mar; 113(10):1976-84. PubMed ID: 19115824
    [TBL] [Abstract][Full Text] [Related]  

  • 15. Accurate ab initio predictions of ionization energies and heats of formation for the 2-propyl, phenyl, and benzyl radicals.
    Lau KC; Ng CY
    J Chem Phys; 2006 Jan; 124(4):044323. PubMed ID: 16460178
    [TBL] [Abstract][Full Text] [Related]  

  • 16. Electronic structure theory study of the F(-) + CH(3)I → FCH(3) + I(-) potential energy surface.
    Zhang J; Hase WL
    J Phys Chem A; 2010 Sep; 114(36):9635-43. PubMed ID: 20443540
    [TBL] [Abstract][Full Text] [Related]  

  • 17. Thermochemistry of Lewis adducts of BH3 and nucleophilic substitution of triethylamine on NH3BH3 in tetrahydrofuran.
    Potter RG; Camaioni DM; Vasiliu M; Dixon DA
    Inorg Chem; 2010 Nov; 49(22):10512-21. PubMed ID: 20932027
    [TBL] [Abstract][Full Text] [Related]  

  • 18. An ab initio and density functional theory study of keto-enol equilibria of hydroxycyclopropenone in gas and aqueous solution phase.
    Paine SW; Kresge AJ; Salam A
    J Phys Chem A; 2005 May; 109(18):4149-53. PubMed ID: 16833739
    [TBL] [Abstract][Full Text] [Related]  

  • 19. Isomers of the uracil dimer: an ab initio benchmark study.
    Frey JA; Müller A; Losada M; Leutwyler S
    J Phys Chem B; 2007 Apr; 111(13):3534-42. PubMed ID: 17388514
    [TBL] [Abstract][Full Text] [Related]  

  • 20. Ab initio calculations on halogen-bonded complexes and comparison with density functional methods.
    Lu YX; Zou JW; Fan JC; Zhao WN; Jiang YJ; Yu QS
    J Comput Chem; 2009 Apr; 30(5):725-32. PubMed ID: 18727160
    [TBL] [Abstract][Full Text] [Related]  

    [Next]    [New Search]
    of 28.