The excess proton in aqueous media plays a pivotal role in many fundamental chemical (eg,
acid−base chemistry) and biological (eg, bioenergetics and enzyme catalysis) processes. …

Graphitic carbon nitride (gC 3 N 4 ) has recently emerged as a promising visible-light-responsive
polymeric photocatalyst; however, a molecular-level understanding of material …

In this work, we have combined constant-pH molecular dynamics simulations and experiments
to provide a quantitative analysis of pH dependent interactions between doxorubicin …

In order to obtain accurate and reliable network planning in the Radio Frequency Identification
(RFID) communication system, the locations of readers and the associated values for …

The structural properties of the influenza A virus M2 transmembrane channel in
dimyristoylphosphatidylcholine bilayer for each of the four protonation states of the proton-gating …

A new multiscale computational methodology was developed to effectively incorporate the
scattered electric field of a plasmonic nanoparticle into a quantum mechanical (QM) optical …

In this paper, we develop an optimization model for planning the positions of readers in the
RFID network based on a novel multi-swarm particle swarm optimizer called PS 2 O. The …

Conditional and time-dependent radial distribution functions reveal the details of the water
structure surrounding the hydronium during the proton mobility process. Using this …

A new multistate empirical valence bond model (MS-EVB3) is developed for proton
solvation and transport in aqueous solutions. The new model and its quantum version (qMS-EVB3) …

In this contribution, a novel bionic algorithm inspired by plant root foraging behaviors, namely
artificial root foraging optimization (ARFO) algorithm, is designed and developed. The …