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 *

210 related articles for article (PubMed ID: 32064637)

  • 1. Probing the bent bonds in cyclopropane systems for gas storage and separation process: A computational study.
    Wakchaure PD; Ganguly B
    J Comput Chem; 2020 May; 41(13):1271-1284. PubMed ID: 32064637
    [TBL] [Abstract][Full Text] [Related]  

  • 2. Computational Study on Metal-Ion-Decorated Prismane Molecules for Selective Adsorption of CO
    Wakchaure PD; Ganguly B
    ACS Omega; 2020 Dec; 5(48):31146-31155. PubMed ID: 33324823
    [TBL] [Abstract][Full Text] [Related]  

  • 3. 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]  

  • 4. Density functional theory study of the interaction of vinyl radical, ethyne, and ethene with benzene, aimed to define an affordable computational level to investigate stability trends in large van der Waals complexes.
    Maranzana A; Giordana A; Indarto A; Tonachini G; Barone V; Causà M; Pavone M
    J Chem Phys; 2013 Dec; 139(24):244306. PubMed ID: 24387369
    [TBL] [Abstract][Full Text] [Related]  

  • 5. 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]  

  • 6. Mechanism of the hydration of carbon dioxide: direct participation of H2O versus microsolvation.
    Nguyen MT; Matus MH; Jackson VE; Vu TN; Rustad JR; Dixon DA
    J Phys Chem A; 2008 Oct; 112(41):10386-98. PubMed ID: 18816037
    [TBL] [Abstract][Full Text] [Related]  

  • 7. A multi-level quantum mechanics and molecular mechanics study of SN2 reaction at nitrogen: NH2Cl + OH(-) in aqueous solution.
    Lv J; Zhang J; Wang D
    Phys Chem Chem Phys; 2016 Feb; 18(8):6146-52. PubMed ID: 26847380
    [TBL] [Abstract][Full Text] [Related]  

  • 8. Accurate description of intermolecular interactions involving ions using symmetry-adapted perturbation theory.
    Lao KU; Schäffer R; Jansen G; Herbert JM
    J Chem Theory Comput; 2015 Jun; 11(6):2473-86. PubMed ID: 26575547
    [TBL] [Abstract][Full Text] [Related]  

  • 9. Approximations to complete basis set-extrapolated, highly correlated non-covalent interaction energies.
    Mackie ID; DiLabio GA
    J Chem Phys; 2011 Oct; 135(13):134318. PubMed ID: 21992316
    [TBL] [Abstract][Full Text] [Related]  

  • 10. Basis set dependence of higher-order correlation effects in π-type interactions.
    Carrell EJ; Thorne CM; Tschumper GS
    J Chem Phys; 2012 Jan; 136(1):014103. PubMed ID: 22239765
    [TBL] [Abstract][Full Text] [Related]  

  • 11. Structure, stability, and spectroscopic properties of H-bonded complexes of HOSO and CH3SO with H2O.
    Lesar A; Tušar S
    J Phys Chem A; 2014 Sep; 118(36):7855-62. PubMed ID: 25144815
    [TBL] [Abstract][Full Text] [Related]  

  • 12. Structural and relative energy assessments of DFT functionals and the MP2 method to describe the gas phase methylation of nitronates: [R(1)R(2)CNO2](-) + CH3I.
    Mahmood A; Longo RL
    Phys Chem Chem Phys; 2016 Jun; 18(25):17062-70. PubMed ID: 27299164
    [TBL] [Abstract][Full Text] [Related]  

  • 13. Density-functional approaches to noncovalent interactions: a comparison of dispersion corrections (DFT-D), exchange-hole dipole moment (XDM) theory, and specialized functionals.
    Burns LA; Vázquez-Mayagoitia A; Sumpter BG; Sherrill CD
    J Chem Phys; 2011 Feb; 134(8):084107. PubMed ID: 21361527
    [TBL] [Abstract][Full Text] [Related]  

  • 14. Bond Energies and Thermochemical Properties of Ring-Opened Diradicals and Carbenes of exo-Tricyclo[5.2.1.0(2,6)]decane.
    Hudzik JM; Castillo Á; Bozzelli JW
    J Phys Chem A; 2015 Sep; 119(38):9857-78. PubMed ID: 26295335
    [TBL] [Abstract][Full Text] [Related]  

  • 15. 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]  

  • 16. Calculations on noncovalent interactions and databases of benchmark interaction energies.
    Hobza P
    Acc Chem Res; 2012 Apr; 45(4):663-72. PubMed ID: 22225511
    [TBL] [Abstract][Full Text] [Related]  

  • 17. Superbasicity of silylene derivatives achieved via non-covalent intramolecular cation···π interactions and exploited as molecular containers for CO2.
    Biswas AK; Lo R; Si MK; Ganguly B
    Phys Chem Chem Phys; 2014 Jun; 16(24):12567-75. PubMed ID: 24830460
    [TBL] [Abstract][Full Text] [Related]  

  • 18. Metal ion-decorated hexasilaprismane and its derivative as a molecular container for the separation of CO
    Wakchaure PD; Ganguly B
    Dalton Trans; 2023 Apr; 52(14):4336-4348. PubMed ID: 36912042
    [TBL] [Abstract][Full Text] [Related]  

  • 19. 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]  

  • 20. Quantum chemical investigation on the role of Li adsorbed on anatase (101) surface nano-materials on the storage of molecular hydrogen.
    Srinivasadesikan V; Raghunath P; Lin MC
    J Mol Model; 2015 Jun; 21(6):142. PubMed ID: 25966674
    [TBL] [Abstract][Full Text] [Related]  

    [Next]    [New Search]
    of 11.