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 *

126 related articles for article (PubMed ID: 32130009)

  • 1. 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]  

  • 2. Benchmarking Compound Methods (CBS-QB3, CBS-APNO, G3, G4, W1BD) against the Active Thermochemical Tables: Formation Enthalpies of Radicals.
    Somers KP; Simmie JM
    J Phys Chem A; 2015 Aug; 119(33):8922-33. PubMed ID: 26171842
    [TBL] [Abstract][Full Text] [Related]  

  • 3. Benchmarking Compound Methods (CBS-QB3, CBS-APNO, G3, G4, W1BD) against the Active Thermochemical Tables: A Litmus Test for Cost-Effective Molecular Formation Enthalpies.
    Simmie JM; Somers KP
    J Phys Chem A; 2015 Jul; 119(28):7235-46. PubMed ID: 25580800
    [TBL] [Abstract][Full Text] [Related]  

  • 4. Reliable predictions of the thermochemistry of boron-nitrogen hydrogen storage compounds: BxNxHy, x = 2, 3.
    Matus MH; Anderson KD; Camaioni DM; Autrey ST; Dixon DA
    J Phys Chem A; 2007 May; 111(20):4411-21. PubMed ID: 17444621
    [TBL] [Abstract][Full Text] [Related]  

  • 5. Thermodynamic and ab initio analysis of the controversial enthalpy of formation of formaldehyde.
    da Silva G; Bozzelli JW; Sebbar N; Bockhorn H
    Chemphyschem; 2006 May; 7(5):1119-26. PubMed ID: 16596698
    [TBL] [Abstract][Full Text] [Related]  

  • 6. Accuracy of calculations of heats of reduction/hydrogenation: application to some small ring systems.
    Wiberg KB
    J Org Chem; 2012 Nov; 77(22):10393-8. PubMed ID: 23077980
    [TBL] [Abstract][Full Text] [Related]  

  • 7. Enthalpies of formation, bond dissociation energies, and molecular structures of the n-aldehydes (acetaldehyde, propanal, butanal, pentanal, hexanal, and heptanal) and their radicals.
    da Silva G; Bozzelli JW
    J Phys Chem A; 2006 Dec; 110(48):13058-67. PubMed ID: 17134166
    [TBL] [Abstract][Full Text] [Related]  

  • 8. Thinking out of the black box: accurate barrier heights of 1,3-dipolar cycloadditions of ozone with acetylene and ethylene.
    Wheeler SE; Ess DH; Houk KN
    J Phys Chem A; 2008 Feb; 112(8):1798-807. PubMed ID: 18247512
    [TBL] [Abstract][Full Text] [Related]  

  • 9. Thermochemical properties and bond dissociation enthalpies of 3- to 5-member ring cyclic ether hydroperoxides, alcohols, and peroxy radicals: cyclic ether radical + (3)O(2) reaction thermochemistry.
    Auzmendi-Murua I; Bozzelli JW
    J Phys Chem A; 2014 May; 118(17):3147-67. PubMed ID: 24660891
    [TBL] [Abstract][Full Text] [Related]  

  • 10. Estimating Systematic Error and Uncertainty in
    Bakowies D
    J Chem Theory Comput; 2020 Jan; 16(1):399-426. PubMed ID: 31725284
    [TBL] [Abstract][Full Text] [Related]  

  • 11. Thermochemistry, bond energies, and internal rotor potentials of dimethyl tetraoxide.
    da Silva G; Bozzelli JW
    J Phys Chem A; 2007 Nov; 111(47):12026-36. PubMed ID: 17983209
    [TBL] [Abstract][Full Text] [Related]  

  • 12. Thermodynamic Properties: Enthalpy, Entropy, Heat Capacity, and Bond Energies of Fluorinated Carboxylic Acids.
    Snitsiriwat S; Hudzik JM; Chaisaward K; Stoler LR; Bozzelli JW
    J Phys Chem A; 2022 Jan; 126(1):3-15. PubMed ID: 34978833
    [TBL] [Abstract][Full Text] [Related]  

  • 13. Accurate heats of formation of the "Arduengo-type" carbene and various adducts including H2 from ab initio molecular orbital theory.
    Dixon DA; Arduengo AJ
    J Phys Chem A; 2006 Feb; 110(5):1968-74. PubMed ID: 16451031
    [TBL] [Abstract][Full Text] [Related]  

  • 14. Quantum chemical study of the structure and thermochemistry of the five-membered nitrogen-containing heterocycles and their anions and radicals.
    da Silva G; Moore EE; Bozzelli JW
    J Phys Chem A; 2006 Dec; 110(51):13979-88. PubMed ID: 17181359
    [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. Computational Study on N-N Homolytic Bond Dissociation Enthalpies of Hydrazine Derivatives.
    Zheng Y; Zheng W; Wang J; Chang H; Zhu D
    J Phys Chem A; 2018 Mar; 122(10):2764-2780. PubMed ID: 29470086
    [TBL] [Abstract][Full Text] [Related]  

  • 17. A Database of Formation Enthalpies of Nitrogen Species by Compound Methods (CBS-QB3, CBS-APNO, G3, G4).
    Simmie JM
    J Phys Chem A; 2015 Oct; 119(42):10511-26. PubMed ID: 26421747
    [TBL] [Abstract][Full Text] [Related]  

  • 18. Ab initio investigation on the reaction path and rate for the gas-phase reaction of HO + H2O <--> H2O + OH.
    Uchimaru T; Chandra AK; Tsuzuki S; Sugie M; Sekiya A
    J Comput Chem; 2003 Oct; 24(13):1538-48. PubMed ID: 12925998
    [TBL] [Abstract][Full Text] [Related]  

  • 19. Thermochemistry of Intermediates and Products in the Oxidation Reaction of 1,1,2-Trifluoroethene via OH Radical.
    Snitsiriwat S; Yommee S; Bozzelli JW
    J Phys Chem A; 2019 Sep; 123(37):8017-8027. PubMed ID: 31424214
    [TBL] [Abstract][Full Text] [Related]  

  • 20. Estimating Systematic Error and Uncertainty in
    Bakowies D
    J Chem Theory Comput; 2019 Oct; 15(10):5230-5251. PubMed ID: 31393720
    [TBL] [Abstract][Full Text] [Related]  

    [Next]    [New Search]
    of 7.