Results 121 to 130 of about 11,627,235 (359)

A generalized Debye-Hückel theory of electrolyte solutions

AIP Advances, 2019
We propose a generalized Debye-Hückel (DH) theory by using a recent Poisson-Fermi model that accounts for the steric, correlation, and polarization effects of ions and water treated as nonuniform spheres with interstitial voids. The generalized DH theory
Jinn-Liang Liu, Chin-Lung Li
doaj   +1 more source

Functional-group and substituent effects, both steric and electronic, upon the ultraviolet absorption spectra of some conjugated heteroenoid compounds [PDF]

, 1967
D. J. Currie, C. E. Lough, R. F. Silver, H. L. Holmes   +3 more
openalex   +1 more source

Cu‐Based MOF/TiO2 Composite Nanomaterials for Photocatalytic Hydrogen Generation and the Role of Copper

Advanced Functional Materials, EarlyView.
HKUST‐1/TiO2 composite materials show a very high photocatalytic hydrogen evolution rate which increases as a function of the irradiation time until reaching a plateau and even surpasses the performance of the 1%Pt/TiO2 material after three photocatalytic cycles.
Alisha Khan, Marie Le Pivert, Alireza Ranjbari, Diana Dragoe, Daniel Bahena‐Uribe, Christophe Colbeau‐Justin, Christian Herrero, Dorota Rutkowska‐Zbik, Johnny Deschamps, Hynd Remita   +9 more
wiley   +1 more source

Steric effects in the dynamics of electrolytes at large applied voltages: I. Double-layer charging [PDF]

arXiv, 2006
The classical Poisson-Boltzmann (PB) theory of electrolytes assumes a dilute solution of point charges with mean-field electrostatic forces. Even for very dilute solutions, however, it predicts absurdly large ion concentrations (exceeding close packing) for surface potentials of only a few tenths of a volt, which are often exceeded, e.g.
arxiv  

Steric and Electronic Effects in Electron Transfer Reactions [PDF]

, 1965
Robert Fraser
openalex   +1 more source

Computational design of faster rotating second-generation light-driven molecular motors by control of steric effects.

Physical Chemistry, Chemical Physics - PCCP, 2015
We report a systematic computational investigation of the possibility to accelerate the rate-limiting thermal isomerizations of the rotary cycles of synthetic light-driven overcrowded alkene-based molecular motors through modulation of steric ...
Baswanth Oruganti, Changfeng Fang, B. Durbeej   +2 more
semanticscholar   +1 more source

Superionic Disulfonic Acid Polymers

Advanced Functional Materials, EarlyView.
A strategy is presented to enhance the mechanical and ion transport properties of acid‐functionalized polymers through controlled polymerizations of precisely designed disulfonic acid monomers with well‐defined functional group arrangements. This approach allows for fine control over molecular interactions, and unexpected hydrophobic characteristics ...
Xuelang Gao, Hojun Lee, Woongsik Choi, Yunsoo Shim, Hyung Min Chi, Moon Jeong Park   +5 more
wiley   +1 more source

Steric Effects on the Chelation of Mn²⁺ and Zn²⁺ by Hexadentate Polyimidazole Ligands: Modeling Metal Binding by Calprotectin Site 2. [PDF]

Chemistry, 2023
Gaynor RB, McIntyre BN, Lindsey SL, Clavo KA, Shy WE, Mees DE, Mu G, Donnadieu B, Creutz SE.   +8 more
europepmc   +1 more source

Numerical Methods for a Poisson-Nernst-Planck-Fermi Model [PDF]

arXiv, 2015
Numerical methods are proposed for an advanced Poisson-Nernst-Planck-Fermi (PNPF) model for studying ion transport through biological ion channels. PNPF contains many more correlations than most models and simulations of channels, because it includes water and calculates dielectric properties consistently as outputs.
arxiv  

Homolytic Chlorination of Aliphatic Compounds. III. Photochlorination of 1-Substituted Propanes; Steric Effects [PDF]

, 1969
Masanori Kosugi, Kohji Takeuchi, Toshihiko Migita   +2 more
openalex   +1 more source