, 2023 The contributions of the enthalpy and entropy of solvation for the study of chemical and biological systems are important in the prediction, interpretation, and manipulation of these processes.
Diego J. Raposo (14375561) +1 more
core +1 more source
Comparative study on the gas to solution phase solvation free energies of model combustion flue gas compounds (N~2~, O~2~, CO~2~, H~2~O, SO~2~, and CO) in 178 organic solvents using the IEFPCM-UFF, CPCM, and SMD implicit solvent models at the Gaussian-4 (G4) level of theory [PDF]
, 2010 Gas to solution phase Gibbs free energies of solvation at 298.15 K for transfer of six representative combustion flue gas compounds (N~2~, O~2~, CO~2~, H~2~O, SO~2~, and CO) were calculated at the Gaussian-4 (G4) level of theory using the IEFPCM-UFF ...
Sierra Rayne, Kaya Forest
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Influence of the solvent on the stability of bis(terpyridine) structures on graphite
Beilstein Journal of Nanotechnology, 2013 The effect of solvation on the adsorption of organic molecules on graphite at room temperature has been addressed with force-field molecular dynamics simulations.
Daniela Künzel, Axel Groß
doaj +1 more source
Frontiers in Materials, 2023 Poly (N-isopropylacrylamide) (PNIPAM) is a famous representative of thermosensitive polymers. Thermosensitive polymers undergo a phase transition with lower critical solution temperature.
Patrick K. Quoika +6 more
doaj +1 more source
Self-consistent construction of grand potential functional with hierarchical integral equations and its application to solvation thermodynamics [PDF]
, 2022 The construction of the density functional for grand potential is fundamental in understanding a broad range of interesting physical phenomena, such as phase equilibrium, interfacial thermodynamics, and solvation.
Hirofumi Sato +3 more
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CHIMIA, 1994 The thermodynamics of the formation of gaseous metal complexes and their solvation in nonaqueous solvents is briefly reviewed.
Franzpeter Emmenegger
doaj +2 more sources
Emerging experimental and computational methods for studying redox‐regulated structural transitions
FEBS Letters, EarlyView.Redox reactions can reshape proteins and alter how they behave in cells, with important consequences for health and disease. This review explores emerging experimental and computational approaches for discovering these redox‐sensitive protein switches, revealing their structural effects, and predicting their behavior, opening new opportunities to ...
Tasneem Rass +2 more
wiley +1 more source
Study of The Effect of Solvation on Thermodynamic Parameters
International Journal of Scientific Research in Science and Technology, 2023 In the present research paper, we study about the effect of solvation on thermodynamic parameters. The main difference between reactions in solution and in the gas, phase is the formation and participation of ions. It is pertinent to consider the process of forming ions. It is pertinent to consider the process of forming ions from neutral molecules and
Subedi, Thaneshwar, Kumar, (Dr.) Ram
openaire +1 more source
Artificial molecular machines and motors—Design and control of nanoscale motion
FEBS Letters, EarlyView.Molecules are constantly moving because of thermal fluctuations, but random motion alone cannot be exploited to perform directional tasks. Artificial molecular machines use chemical, electrical, or light energy to bias this motion. Molecular shuttles, rotary motors, and supramolecular pumps illustrate how nanoscale movement can be controlled and ...
Leonardo Andreoni, Alberto Credi
wiley +1 more source
Ion solvation in aqueous-organic mixtures [PDF]
, 2004 The importance of ion solvation in determining the properties of electrolyte solutions in aqueous-organic solvent mixtures is discussed. Solubility measurements are shown to be particularly useful for determining the Gibbs energies of transfer of ions ...
Hefter, G.T., Hefter, G.
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