Modeling the absorption spectrum of the permanganate ion in vacuum and in aqueous solution [PDF]
, 2017 The absorption spectrum of the MnO$_{4}$$^{-}$ ion has been a test-bed for quantum-chemical methods over the last decades. Its correct description requires highly-correlated multiconfigurational methods, which are incompatible with the inclusion of ...
Hedegård, Erik Donovan +1 more
core +3 more sources
Modern strategies for the creation of polymer coatings. Part II [PDF]
Нанотехнологии в строительствеIntroduction. Coatings on hard materials are widely used in many industries. Coating technologies help prevent or reduce corrosion, contamination and biofouling, chemical and structural degradation, and wear and tear of external surfaces due to ...
Irina N. Vikhareva +3 more
doaj +1 more source
The structure of fluids with impurities
, 2012 The influence of dilute impurities on the structure of a fluid solvent is investigated theoretically. General arguments, which do not rely on particular models, are used to derive an extension of the Ornstein-Zernike form for the solvent structure factor
Bier, M., Harnau, L.
core +1 more source
International Journal of Environmental Health Engineering, 2016 Aims: In this study, distilled water and dimethylformamid (DMF), an organic solvent, have been compared in different characteristics to be used as the best solvent during EPD.
Hajar Pourgheysari +3 more
doaj +1 more source
Demixing of colloid-polymer mixtures in poor solvents
, 2002 The influence of poor solvent quality on fluid demixing of a model mixture of colloids and nonadsorbing polymers is investigated using density functional theory.
Denton, Alan R., Schmidt, Matthias
core +1 more source
Optimisation of solvent replacement procedures according to economic and environmental criteria in pharmaceutical industry [PDF]
, 2006 During pharmaceutical syntheses, the reaction solvent has often to be switched off from one reaction step to the following one. Because of the standard industrial practices, solvent replacement generally constitutes a slow and high solvent-consuming ...
Cabassud, Michel +3 more
core +1 more source
Investigating Strategies to Enhance the Aqueous Solubility of Ketamine HCl for Intranasal Delivery
PharmaceuticsBackground: Ketamine HCl, an FDA-approved therapeutic, is administered through various routes, including intranasal delivery. Administering an adequate therapeutic dose of intranasal ketamine HCl is challenging due to the limited volume that can be ...
Sourour Idoudi +6 more
doaj +1 more source
Solvent Mediated Assembly of Nanoparticles Confined in Mesoporous Alumina
, 2006 The controlled self-assembly of thiol stabilized gold nanocrystals in a mediating solvent and confined within mesoporous alumina was probed in situ with small angle x-ray scattering.
A. Dokoutchaev +13 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 ...
Kaya Forest, Sierra Rayne
core +2 more sources
The unpredictably eruptive dynamics of spruce budworm populations in eastern Canada
Population Ecology, EarlyView.We examine historical population data for spruce budworm from several locations through the period 1930–1997, and use density‐dependent recruitment curves to test whether the pattern of population growth over time is more consistent with Royama's (1984; Ecological Monographs 54:429–462) linear R(t) model of harmonic oscillation at Green River New ...
Barry J. Cooke, Jacques Régnière
wiley +1 more source