Thermodynamics Research - Enthalpy, Entropy, Energy Transitions

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Volume 5 (2009), Issue 9 (September)

  1. Thermodynamic stability and growth of guest-free clathrate hydrates: a low-density crystal phase of water.
    J Phys Chem B, 113(30): 10298-307. [Abstract] [Full-text]
  2. First-principles study of electronic, absorption, and thermodynamic properties of crystalline styphnic acid and its metal salts.
    J Phys Chem B, 113(30): 10315-21. [Abstract] [Full-text]
  3. Dimerization thermodynamics of large hydrophobic plates: a scaled particle theory study.
    J Phys Chem B, 113(32): 11232-9. [Abstract] [Full-text]
  4. Structure, stability, thermodynamic properties, and IR spectra of the protonated water decamer H+(H2O)10.
    J Phys Chem A, 113(32): 9237-42. [Abstract] [Full-text]
  5. Standard state thermodynamic properties of completely dissociated hydrochloric acid and aqueous sodium hydroxide at extreme temperatures and pressures.
    J Phys Chem B, 113(31): 10792-9. [Abstract] [Full-text]
  6. 3,5-Diphenylpent-2-enoic acids as allosteric activators of the protein kinase PDK1: structure-activity relationships and thermodynamic characterization of binding as paradigms for PIF-binding pocket-targeting compounds.
    J Med Chem, 52(15): 4683-93. [Abstract] [Full-text]
  7. Kinetic and thermodynamic properties of the folding and assembly of formate dehydrogenase.
    FEBS Lett, 583(17): 2887-92. [Abstract] [Full-text]
  8. Thermodynamics of gradient driven transport: application to single-particle tracking.
    J Phys Chem B, 113(33): 11459-62. [Abstract] [Full-text]
  9. Thermodynamic characterization of the self-assembly process of a three component heterobimetallic bisporphyrin macrocycle.
    J Phys Chem B, 113(33): 11479-89. [Abstract] [Full-text]
  10. Thermodynamic role of glutathione oxidation by peroxide and peroxybicarbonate in the prevention of Alzheimer's disease and cancer.
    J Phys Chem A, 113(32): 9138-49. [Abstract] [Full-text]
  11. Theoretical studies on the thermodynamics and kinetics of the N-glycosidic bond cleavage in deoxythymidine glycol.
    J Phys Chem B, 113(30): 10409-20. [Abstract] [Full-text]
  12. WITHDRAWN: Reply to Comment by Sierra Rayne and Kaya Forest on "Ab initio study of the structural, electronic, and thermodynamic properties of linear perfluorooctane sulfonate (PFOS) and its branched isomers"
    Chemosphere. [Abstract] [Full-text]
  13. Comparison of the thermodynamics and base-pair dynamics of a full LNA:DNA duplex and of the isosequential DNA:DNA duplex.
    Biochemistry, 48(35): 8473-82. [Abstract] [Full-text]
  14. Thermodynamic and kinetic studies on reactions of Fe(III)(meso-[tetra(3-sulfonatomesityl)porphin]) with NO in an ionic liquid. Trace impurities can change the mechanism!
    Inorg Chem, 48(15): 7466-75. [Abstract] [Full-text]
  15. Unveiling how stereoelectronic factors affect kinetics and thermodynamics of protonation regiochemistry in [FeFe] hydrogenase synthetic models: a DFT investigation.
    J Am Chem Soc, 131(31): 10909-17. [Abstract] [Full-text]
  16. Detailed spectroscopic, thermodynamic, and kinetic studies on the protolytic equilibria of Fe(III)cydta and the activation of hydrogen peroxide.
    Inorg Chem, 48(16): 7864-84. [Abstract] [Full-text]
  17. Strong metal ion size based selectivity of the highly preorganized ligand PDA (1,10-phenanthroline-2,9-dicarboxylic acid) with trivalent metal ions. A crystallographic, fluorometric, and thermodynamic study.
    Inorg Chem, 48(16): 7853-63. [Abstract] [Full-text]
  18. Kinetic and thermodynamic stability of the group 13 trihydrides.
    Inorg Chem, 48(16): 7953-61. [Abstract] [Full-text]
  19. Rationalizing the reactivity of frustrated Lewis pairs: thermodynamics of H(2) activation and the role of acid-base properties.
    J Am Chem Soc, 131(30): 10701-10. [Abstract] [Full-text]
  20. On the thermodynamic expansion of the nucleation free-energy barrier.
    J Chem Phys, 131(8): 084711. [Abstract] [Full-text]
  21. Ab initio thermodynamic evaluation of Pd atom interaction with CeO(2) surfaces.
    J Chem Phys, 131(8): 084701. [Abstract] [Full-text]
  22. Thermodynamic and structural properties of finely discretized on-lattice hard-sphere fluids: Virial coefficients, free energies, and direct correlation functions.
    J Chem Phys, 131(8): 084503. [Abstract] [Full-text]
  23. Ab initio simulations of thermodynamic and chemical properties of detonation product mixtures.
    J Chem Phys, 131(8): 084107. [Abstract] [Full-text]
  24. Kinetic and thermodynamic parameters of the Li/Li+ couple in the room temperature ionic liquid N-butyl-N-methylpyrrolidinium bis(trifluoromethylsulfonyl) imide in the temperature range 298-318 K: a theoretical and experimental study using Pt and Ni electrodes.
    J Phys Chem B, 113(36): 12293-8. [Abstract] [Full-text]
  25. Kinetic and thermodynamic barriers to chlorine transfer between amines in aqueous solution.
    J Org Chem, 74(15): 5381-9. [Abstract] [Full-text]
  26. Thermodynamic selection of steric zipper patterns in the amyloid cross-beta spine.
    PLoS Comput Biol, 5(9): e1000492. [Abstract] [Full-text]
  27. A spectrophotometric and thermodynamic study of the sitting-atop complex formation from reaction between free base meso-tetraarylporphyrins and zirconyl nitrate in chloroform solution.
    Spectrochim Acta A Mol Biomol Spectrosc, 74(2): 324-8. [Abstract] [Full-text]
  28. A theoretical study on the vibrational spectra and thermodynamic properties for the nitro derivatives of phenols.
    Spectrochim Acta A Mol Biomol Spectrosc, 74(2): 569-74. [Abstract] [Full-text]
  29. Collective diffusion in colloid-polymer suspensions: relative role of thermodynamics and hydrodynamics.
    Langmuir, 25(18): 10507-14. [Abstract] [Full-text]
  30. Thermodynamic characterization of the folding equilibrium of the human Nedd4-WW4 domain: at the frontiers of cooperative folding.
    Biochemistry, 48(36): 8712-20. [Abstract] [Full-text]
  31. Thermodynamic, dynamic, and structural anomalies for shoulderlike potentials.
    J Chem Phys, 131(9): 094504. [Abstract] [Full-text]
  32. Thermodynamics of systems with different geometric constraints and intermolecular correlations.
    J Phys Chem B, 113(37): 12530-5. [Abstract] [Full-text]
  33. Thermodynamic trends in carbon-hydrogen bond activation in nitriles and chloroalkanes at rhodium.
    J Org Chem, 74(18): 6907-14. [Abstract] [Full-text]
  34. Structural-thermodynamic relationships of interactions in the N-terminal ATP-binding domain of Hsp90.
    J Mol Biol, 392(4): 923-36. [Abstract] [Full-text]
  35. DNA loci cross-talk through thermodynamics.
    J Biomed Biotechnol, 2009: 516723. [Abstract] [Full-text]
  36. Tuning the thermodynamics of association of transmembrane helices.
    J Phys Chem B, 113(38): 12831-8. [Abstract] [Full-text]
  37. Beyond thermodynamics: drug binding kinetics could influence epidermal growth factor signaling.
    J Med Chem, 52(18): 5582-5. [Abstract] [Full-text]
  38. Thermodynamic Feasibility of Enzymatic Reduction of Carbon Dioxide to Methanol.
    Appl Biochem Biotechnol. [Abstract] [Full-text]
  39. Thermodynamics of loop formation in the denatured state of rhodopseudomonas palustris cytochrome c': scaling exponents and the reconciliation problem.
    J Mol Biol, 392(5): 1315-25. [Abstract] [Full-text]
  40. Metabolic systems maintain stable non-equilibrium via thermodynamic buffering.
    Bioessays, 31(10): 1091-9. [Abstract] [Full-text]
  41. Thermodynamic and FTIR studies of supercooled water confined to exterior and interior of mesoporous MCM-41.
    Phys Chem Chem Phys, 11(38): 8538-43. [Abstract] [Full-text]
  42. A comparison of 4f vs 5f metal-metal bonds in (CpSiMe3)3M-ECp* (M = Nd, U; E = Al, Ga; Cp* = C5Me5): synthesis, thermodynamics, magnetism, and electronic structure.
    J Am Chem Soc, 131(38): 13767-83. [Abstract] [Full-text]
  43. Kinetics and thermodynamics of the interaction of 1-anilino-naphthalene-8-sulfonate with proteins.
    Biochim Biophys Acta, 1794(11): 1700-8. [Abstract] [Full-text]
  44. Structural and thermodynamic study on short metal alkanoates: lithium propanoate and pentanoate.
    J Phys Chem B, 113(39): 12896-902. [Abstract] [Full-text]
  45. Thermodynamic and kinetic characterization of hydrogen-deuterium exchange in beta-phase palladium.
    J Phys Chem B, 113(39): 12978-87. [Abstract] [Full-text]
  46. Thermodynamic relationships between nateglinide polymorphs.
    J Pharm Biomed Anal, 50(5): 764-70. [Abstract] [Full-text]
  47. Thermodynamic and structural study of tolfenamic acid polymorphs.
    J Pharm Biomed Anal, 50(5): 831-40. [Abstract] [Full-text]
  48. Tweezering the core of dendrimers: medium effect on the kinetic and thermodynamic properties.
    J Org Chem, 74(19): 7335-43. [Abstract] [Full-text]
  49. Kinetics and thermodynamics of beta-carotene and chlorophyll adsorption onto acid-activated bentonite from Xinjiang in xylene solution.
    J Hazard Mater, 171(1): 582-7. [Abstract] [Full-text]
  50. Removal of mercury(II) from aqueous solution using moss (Drepanocladus revolvens) biomass: equilibrium, thermodynamic and kinetic studies.
    J Hazard Mater, 171(1): 500-7. [Abstract] [Full-text]
  51. Equilibrium, thermodynamic and kinetic studies on aluminum biosorption from aqueous solution by brown algae (Padina pavonica) biomass.
    J Hazard Mater, 171(1): 973-9. [Abstract] [Full-text]
  52. The interaction between thermodynamic stability and buried free cysteines in regulating the functional half-life of fibroblast growth factor-1.
    J Mol Biol, 393(1): 113-27. [Abstract] [Full-text]
  53. First-principles studies on alloying and simplified thermodynamic aqueous chemical stability of calcium-, zinc-, aluminum-, yttrium- and iron-doped magnesium alloys.
    Acta Biomater. [Abstract] [Full-text]
  54. Adaptive evolution of p53 thermodynamic stability.
    J Mol Biol, 393(1): 161-75. [Abstract] [Full-text]
  55. Structures and thermodynamics of biphenyl dihydrodiol stereoisomers and their metabolites in the enzymatic degradation of arene xenobiotics.
    J Comput Chem, 30(15): 2420-32. [Abstract] [Full-text]
  56. Thermodynamic study of proton transfer reactions of Re(V) trans-dioxocomplexes in aqueous solution.
    Dalton Trans. [Abstract] [Full-text]
  57. Quantum Monte Carlo simulation of nanoscale MgH2 cluster thermodynamics.
    J Am Chem Soc, 131(39): 13918-9. [Abstract] [Full-text]
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Thermodynamics Research Today Archive:

Volume 1 (2005)
  Issue 1 (August)
  Issue 2 (September)
  Issue 3 (October)
  Issue 4 (November)
  Issue 5 (December)

Volume 2 (2006)
  Issue 1 (January)
  Issue 2 (February)
  Issue 3 (March)
  Issue 4 (April)
  Issue 5 (May)
  Issue 6 (June)
  Issue 7 (July)
  Issue 8 (August)
  Issue 9 (September)
  Issue 10 (October)
  Issue 11 (November)
  Issue 12 (December)

Volume 3 (2007)
  Issue 1 (January)
  Issue 2 (February)
  Issue 3 (March)
  Issue 4 (April)
  Issue 5 (May)
  Issue 6 (June)
  Issue 7 (July)
  Issue 8 (August)
  Issue 9 (September)
  Issue 10 (October)
  Issue 11 (November)
  Issue 12 (December)

Volume 4 (2008)
  Issue 1 (January)
  Issue 2 (February)
  Issue 3 (March)
  Issue 4 (April)
  Issue 5 (May)
  Issue 6 (June)
  Issue 7 (July)
  Issue 8 (August)
  Issue 9 (September)
  Issue 10 (October)
  Issue 11 (November)
  Issue 12 (December)

Volume 5 (2009)
  Issue 1 (January)
  Issue 2 (February)
  Issue 3 (March)
  Issue 4 (April)
  Issue 5 (May)
  Issue 6 (June)
  Issue 7 (July)
  Issue 8 (August)
  Issue 9 (September)
  Issue 10 (October)
  Issue 11 (November)
  Issue 12 (December)

Volume 6 (2010)
  Issue 1 (January)
  Issue 2 (February)
  Issue 3 (March)



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