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 *

150 related articles for article (PubMed ID: 30540458)

  • 1. Ab Initio Prediction of Proton Exchange Barriers for Alkanes at Brønsted Sites of Zeolite H-MFI.
    Rybicki M; Sauer J
    J Am Chem Soc; 2018 Dec; 140(51):18151-18161. PubMed ID: 30540458
    [TBL] [Abstract][Full Text] [Related]  

  • 2. Quantum chemical ab initio prediction of proton exchange barriers between CH4 and different H-zeolites.
    Tuma C; Sauer J
    J Chem Phys; 2015 Sep; 143(10):102810. PubMed ID: 26374003
    [TBL] [Abstract][Full Text] [Related]  

  • 3. Quantum chemical modeling of benzene ethylation over H-ZSM-5 approaching chemical accuracy: a hybrid MP2:DFT study.
    Hansen N; Kerber T; Sauer J; Bell AT; Keil FJ
    J Am Chem Soc; 2010 Aug; 132(33):11525-38. PubMed ID: 20677757
    [TBL] [Abstract][Full Text] [Related]  

  • 4. Ab initio study of methanol and ethanol adsorption on Brønsted sites in zeolite H-MFI.
    Piccini G; Alessio M; Sauer J
    Phys Chem Chem Phys; 2018 Aug; 20(30):19964-19970. PubMed ID: 30022186
    [TBL] [Abstract][Full Text] [Related]  

  • 5. Ab Initio Calculations for Molecule-Surface Interactions with Chemical Accuracy.
    Sauer J
    Acc Chem Res; 2019 Dec; 52(12):3502-3510. PubMed ID: 31765121
    [TBL] [Abstract][Full Text] [Related]  

  • 6. Intermolecular dissociation energies of 1-naphthol·n-alkane complexes.
    Knochenmuss R; Maity S; Balmer F; Müller C; Leutwyler S
    J Chem Phys; 2018 Jul; 149(3):034306. PubMed ID: 30037256
    [TBL] [Abstract][Full Text] [Related]  

  • 7. Dual-Site Model for
    Rybicki M; Sillar K; Sauer J
    J Phys Chem Lett; 2022 Dec; 13(50):11595-11600. PubMed ID: 36480747
    [TBL] [Abstract][Full Text] [Related]  

  • 8. Van der Waals interactions between hydrocarbon molecules and zeolites: periodic calculations at different levels of theory, from density functional theory to the random phase approximation and Møller-Plesset perturbation theory.
    Göltl F; Grüneis A; Bučko T; Hafner J
    J Chem Phys; 2012 Sep; 137(11):114111. PubMed ID: 22998253
    [TBL] [Abstract][Full Text] [Related]  

  • 9. Chemically accurate adsorption energies for methane and ethane monolayers on the MgO(001) surface.
    Alessio M; Bischoff FA; Sauer J
    Phys Chem Chem Phys; 2018 Apr; 20(15):9760-9769. PubMed ID: 29334088
    [TBL] [Abstract][Full Text] [Related]  

  • 10. Thermodynamic study of water adsorption in high-silica zeolites.
    Bolis V; Busco C; Ugliengo P
    J Phys Chem B; 2006 Aug; 110(30):14849-59. PubMed ID: 16869595
    [TBL] [Abstract][Full Text] [Related]  

  • 11. Chemically Accurate Vibrational Free Energies of Adsorption from Density Functional Theory Molecular Dynamics: Alkanes in Zeolites.
    Galimberti DR; Sauer J
    J Chem Theory Comput; 2021 Sep; 17(9):5849-5862. PubMed ID: 34459582
    [TBL] [Abstract][Full Text] [Related]  

  • 12. Ab Initio Prediction of Adsorption Isotherms for Small Molecules in Metal-Organic Frameworks.
    Kundu A; Piccini G; Sillar K; Sauer J
    J Am Chem Soc; 2016 Oct; 138(42):14047-14056. PubMed ID: 27748594
    [TBL] [Abstract][Full Text] [Related]  

  • 13. Dimerization of Linear Butenes and Pentenes in an Acidic Zeolite (H-MFI).
    Berger F; Sauer J
    Angew Chem Int Ed Engl; 2021 Feb; 60(7):3529-3533. PubMed ID: 33314606
    [TBL] [Abstract][Full Text] [Related]  

  • 14. On the mechanism of (PCP)Ir-catalyzed acceptorless dehydrogenation of alkanes: a combined computational and experimental study.
    Krogh-Jespersen K; Czerw M; Summa N; Renkema KB; Achord PD; Goldman AS
    J Am Chem Soc; 2002 Sep; 124(38):11404-16. PubMed ID: 12236755
    [TBL] [Abstract][Full Text] [Related]  

  • 15. Hybrid RPA:DFT Approach for Adsorption on Transition Metal Surfaces: Methane and Ethane on Platinum (111).
    Sheldon C; Paier J; Usvyat D; Sauer J
    J Chem Theory Comput; 2024 Mar; 20(5):2219-2227. PubMed ID: 38330551
    [TBL] [Abstract][Full Text] [Related]  

  • 16. Mechanism studies of the conversion of 13C-labeled n-butane on zeolite H-ZSM-5 by using 13C magic angle spinning NMR spectroscopy and GC-MS analysis.
    Luzgin MV; Stepanov AG; Arzumanov SS; Rogov VA; Parmon VN; Wang W; Hunger M; Freude D
    Chemistry; 2005 Dec; 12(2):457-65. PubMed ID: 16163765
    [TBL] [Abstract][Full Text] [Related]  

  • 17. Treating dispersion effects in extended systems by hybrid MP2:DFT calculations--protonation of isobutene in zeolite ferrierite.
    Tuma C; Sauer J
    Phys Chem Chem Phys; 2006 Sep; 8(34):3955-65. PubMed ID: 17028686
    [TBL] [Abstract][Full Text] [Related]  

  • 18. Solvation properties of N-substituted cis and trans amides are not identical: significant enthalpy and entropy changes are revealed by the use of variable temperature 1H NMR in aqueous and chloroform solutions and ab initio calculations.
    Troganis AN; Sicilia E; Barbarossou K; Gerothanassis IP; Russo N
    J Phys Chem A; 2005 Dec; 109(51):11878-84. PubMed ID: 16366639
    [TBL] [Abstract][Full Text] [Related]  

  • 19. Structure and dynamics of binary and ternary lanthanide(III) and actinide(III) tris[4,4,4-trifluoro-1-(2-thienyl)-1,3-butanedione] (TTA)-tributylphosphate (TBP) complexes. Part 3, the structure, thermodynamics and reaction mechanisms of 8- and 9-coordinated binary and ternary Y-TTA-TBP complexes studied by quantum chemical methods.
    Vallet V; Szabó Z; Grenthe I
    Dalton Trans; 2011 Apr; 40(13):3154-65. PubMed ID: 21340066
    [TBL] [Abstract][Full Text] [Related]  

  • 20. Accurate quantum chemical energies for the interaction of hydrocarbons with oxide surfaces: CH(4)/MgO(001).
    Tosoni S; Sauer J
    Phys Chem Chem Phys; 2010 Nov; 12(42):14330-40. PubMed ID: 20886145
    [TBL] [Abstract][Full Text] [Related]  

    [Next]    [New Search]
    of 8.