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 *

129 related articles for article (PubMed ID: 34525835)

  • 1. Calculation of improved enthalpy and entropy of vaporization by a modified partition function in quantum cluster equilibrium theory.
    Zaby P; Ingenmey J; Kirchner B; Grimme S; Ehlert S
    J Chem Phys; 2021 Sep; 155(10):104101. PubMed ID: 34525835
    [TBL] [Abstract][Full Text] [Related]  

  • 2. Calculation of Five Thermodynamic Molecular Descriptors by Means of a General Computer Algorithm Based on the Group-Additivity Method: Standard Enthalpies of Vaporization, Sublimation and Solvation, and Entropy of Fusion of Ordinary Organic Molecules and Total Phase-Change Entropy of Liquid Crystals.
    Naef R; Acree WE
    Molecules; 2017 Jun; 22(7):. PubMed ID: 28672839
    [TBL] [Abstract][Full Text] [Related]  

  • 3. Introducing phase transitions to quantum chemistry: from Trouton's rule to first principles vaporization entropies.
    Spickermann C; Lehmann SB; Kirchner B
    J Chem Phys; 2008 Jun; 128(24):244506. PubMed ID: 18618941
    [TBL] [Abstract][Full Text] [Related]  

  • 4. Uncertainty quantification of phase transition quantities from cluster weighting calculations.
    Blasius J; Zaby P; Dölz J; Kirchner B
    J Chem Phys; 2022 Jul; 157(1):014505. PubMed ID: 35803822
    [TBL] [Abstract][Full Text] [Related]  

  • 5. Gas-phase thermochemistry of noncovalent ligand-alkali metal ion clusters: An impact of low frequencies.
    Otlyotov AA; Minenkov Y
    J Comput Chem; 2023 Aug; 44(22):1807-1816. PubMed ID: 37158307
    [TBL] [Abstract][Full Text] [Related]  

  • 6. A new activity model for Mg-Al biotites determined through an integrated approach.
    Dachs E; Benisek A
    Contrib Mineral Petrol; 2019; 174(9):76. PubMed ID: 31496539
    [TBL] [Abstract][Full Text] [Related]  

  • 7. The thermochemistry of 2,4-pentanedione revisited: observance of a nonzero enthalpy of mixing between tautomers and its effects on enthalpies of formation.
    Temprado M; Roux MV; Umnahanant P; Zhao H; Chickos JS
    J Phys Chem B; 2005 Jun; 109(25):12590-5. PubMed ID: 16852557
    [TBL] [Abstract][Full Text] [Related]  

  • 8. 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]  

  • 9. Thermodynamics and proton activities of protic ionic liquids with quantum cluster equilibrium theory.
    Ingenmey J; von Domaros M; Perlt E; Verevkin SP; Kirchner B
    J Chem Phys; 2018 May; 148(19):193822. PubMed ID: 30307228
    [TBL] [Abstract][Full Text] [Related]  

  • 10. 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]  

  • 11. Calculating the enthalpy of vaporization for ionic liquid clusters.
    Kelkar MS; Maginn EJ
    J Phys Chem B; 2007 Aug; 111(32):9424-7. PubMed ID: 17658744
    [TBL] [Abstract][Full Text] [Related]  

  • 12. Enthalpies of Formation of Hydrazine and Its Derivatives.
    Dorofeeva OV; Ryzhova ON; Suchkova TA
    J Phys Chem A; 2017 Jul; 121(28):5361-5370. PubMed ID: 28636377
    [TBL] [Abstract][Full Text] [Related]  

  • 13. Thermochemistry of ammonium nitrate, NH₄NO₃, in the gas phase.
    Irikura KK
    J Phys Chem A; 2010 Nov; 114(43):11651-3. PubMed ID: 20929227
    [TBL] [Abstract][Full Text] [Related]  

  • 14. Quantum cluster equilibrium theory applied to liquid ammonia.
    Maya J; Malloum A; Fifen JJ; Dhaouadi Z; Fouda HPE; Conradie J
    J Comput Chem; 2024 Jun; 45(15):1279-1288. PubMed ID: 38353541
    [TBL] [Abstract][Full Text] [Related]  

  • 15. Free energy of liquid water from a computer simulation via cell theory.
    Henchman RH
    J Chem Phys; 2007 Feb; 126(6):064504. PubMed ID: 17313226
    [TBL] [Abstract][Full Text] [Related]  

  • 16. 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]  

  • 17. Learning to fly: thermochemistry of energetic materials by modified thermogravimetric analysis and highly accurate quantum chemical calculations.
    Muravyev NV; Monogarov KA; Melnikov IN; Pivkina AN; Kiselev VG
    Phys Chem Chem Phys; 2021 Jul; 23(29):15522-15542. PubMed ID: 34286759
    [TBL] [Abstract][Full Text] [Related]  

  • 18. Thermodynamics of Anharmonic Systems: Uncoupled Mode Approximations for Molecules.
    Li YP; Bell AT; Head-Gordon M
    J Chem Theory Comput; 2016 Jun; 12(6):2861-70. PubMed ID: 27182658
    [TBL] [Abstract][Full Text] [Related]  

  • 19. Ab initio calculations of thermochemical properties of methanol clusters.
    Umer M; Leonhard K
    J Phys Chem A; 2013 Feb; 117(7):1569-82. PubMed ID: 23330733
    [TBL] [Abstract][Full Text] [Related]  

  • 20. General Perturbative Approach for Spectroscopy, Thermodynamics, and Kinetics: Methodological Background and Benchmark Studies.
    Bloino J; Biczysko M; Barone V
    J Chem Theory Comput; 2012 Mar; 8(3):1015-36. PubMed ID: 26593363
    [TBL] [Abstract][Full Text] [Related]  

    [Next]    [New Search]
    of 7.