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 *

152 related articles for article (PubMed ID: 26421747)

  • 41. Evaluation of the heats of formation of corannulene and C60 by means of high-level theoretical procedures.
    Karton A; Chan B; Raghavachari K; Radom L
    J Phys Chem A; 2013 Feb; 117(8):1834-42. PubMed ID: 23343032
    [TBL] [Abstract][Full Text] [Related]  

  • 42. Activation energies of pericyclic reactions: performance of DFT, MP2, and CBS-QB3 methods for the prediction of activation barriers and reaction energetics of 1,3-dipolar cycloadditions, and revised activation enthalpies for a standard set of hydrocarbon pericyclic reactions.
    Ess DH; Houk KN
    J Phys Chem A; 2005 Oct; 109(42):9542-53. PubMed ID: 16866406
    [TBL] [Abstract][Full Text] [Related]  

  • 43. Energetics and structure of nicotinic acid (niacin).
    Gonçalves EM; Bernardes CE; Diogo HP; Minas da Piedade ME
    J Phys Chem B; 2010 Apr; 114(16):5475-85. PubMed ID: 20377184
    [TBL] [Abstract][Full Text] [Related]  

  • 44. Thermochemistry of Species in Gas-Phase Thermal Oxidation of C
    Ram H; Sadej TP; Murphy CC; Mallo TJ; Westmoreland PR
    J Phys Chem A; 2024 Feb; 128(7):1313-1326. PubMed ID: 38335280
    [TBL] [Abstract][Full Text] [Related]  

  • 45. Small (poly)unsaturated oxygen containing ions and molecules: a brief assessment of their thermochemistry based on computational chemistry.
    Holmes JL; Jobst KJ; Terlouw JK
    Eur J Mass Spectrom (Chichester); 2009; 15(2):261-73. PubMed ID: 19423911
    [TBL] [Abstract][Full Text] [Related]  

  • 46. Increase in Strain Energy during Conversion of [4.4.4.5]Fenestrane to [4.4.4.4]Fenestrane: a Method for Estimating the Heats of Formation of Hydrocarbons and Their Derivatives from Ab Initio Energies.
    Wiberg KB; Rablen PR
    J Org Chem; 2020 Apr; 85(7):4981-4987. PubMed ID: 32130009
    [TBL] [Abstract][Full Text] [Related]  

  • 47. Thermodynamics of forming water clusters at various temperatures and pressures by Gaussian-2, Gaussian-3, complete basis set-QB3, and complete basis set-APNO model chemistries; implications for atmospheric chemistry.
    Dunn ME; Pokon EK; Shields GC
    J Am Chem Soc; 2004 Mar; 126(8):2647-53. PubMed ID: 14982475
    [TBL] [Abstract][Full Text] [Related]  

  • 48. Computational s-block thermochemistry with the correlation consistent composite approach.
    DeYonker NJ; Ho DS; Wilson AK; Cundari TR
    J Phys Chem A; 2007 Oct; 111(42):10776-80. PubMed ID: 17914764
    [TBL] [Abstract][Full Text] [Related]  

  • 49. Calculations for the properties and reactions of the NH, PH, and AsH counterparts of dimethyl ether and acetone.
    Wiberg KB
    J Org Chem; 2014 Nov; 79(22):10849-54. PubMed ID: 25358051
    [TBL] [Abstract][Full Text] [Related]  

  • 50. Evaluation of the enthalpy of formation, proton affinity, and gas-phase basicity of gamma-butyrolactone and 2-pyrrolidinone by isodesmic reactions.
    Vessecchi R; Galembeck SE
    J Phys Chem A; 2008 May; 112(17):4060-6. PubMed ID: 18380497
    [TBL] [Abstract][Full Text] [Related]  

  • 51. 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]  

  • 52. 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]  

  • 53. Prediction of Reaction Barriers and Thermochemical Properties with Explicitly Correlated Coupled-Cluster Methods: A Basis Set Assessment.
    Zhang J; Valeev EF
    J Chem Theory Comput; 2012 Sep; 8(9):3175-86. PubMed ID: 26605729
    [TBL] [Abstract][Full Text] [Related]  

  • 54. Computational study on thermochemical properties for perhalogenated methanols (CX3OH) (X = F, Cl, Br).
    Alrawashdeh AI; Poirier RA
    J Phys Chem A; 2015 Apr; 119(15):3615-20. PubMed ID: 25798745
    [TBL] [Abstract][Full Text] [Related]  

  • 55. Structure and thermochemical properties of 2-methoxyfuran, 3-methoxyfuran, and their carbon-centered radicals using computational chemistry.
    Hudzik JM; Bozzelli JW
    J Phys Chem A; 2010 Aug; 114(30):7984-95. PubMed ID: 20666545
    [TBL] [Abstract][Full Text] [Related]  

  • 56. Barrier heights for H-atom abstraction by H*O2 from n-butanol--a simple yet exacting test for model chemistries?
    Black G; Simmie JM
    J Comput Chem; 2010 Apr; 31(6):1236-48. PubMed ID: 19882733
    [TBL] [Abstract][Full Text] [Related]  

  • 57. Energy barriers for the addition of H, *CH3, and *C2H5 to *CH2=CHX [X = H, CH3, OH] and for H-atom addition to RCH=O [R = H, CH3, *C2H5, n-C3H7]: implications for the gas-phase chemistry of enols.
    Simmie JM; Curran HJ
    J Phys Chem A; 2009 Jul; 113(27):7834-45. PubMed ID: 19518123
    [TBL] [Abstract][Full Text] [Related]  

  • 58. Heats of formation of C(6)H(5)(•), C(6)H(5)(+), and C(6)H(5)NO by threshold photoelectron photoion coincidence and active thermochemical tables analysis.
    Stevens WR; Ruscic B; Baer T
    J Phys Chem A; 2010 Dec; 114(50):13134-45. PubMed ID: 21128587
    [TBL] [Abstract][Full Text] [Related]  

  • 59. Active thermochemical tables: water and water dimer.
    Ruscic B
    J Phys Chem A; 2013 Nov; 117(46):11940-53. PubMed ID: 23834334
    [TBL] [Abstract][Full Text] [Related]  

  • 60. Comparison of model chemistry and density functional theory thermochemical predictions with experiment for formation of ionic clusters of the ammonium cation complexed with water and ammonia; atmospheric implications.
    Pickard FC; Dunn ME; Shields GC
    J Phys Chem A; 2005 Jun; 109(22):4905-10. PubMed ID: 16833837
    [TBL] [Abstract][Full Text] [Related]  

    [Previous]   [Next]    [New Search]
    of 8.