peroxyoxalate system includes an oxalate ester, peroxide and a fluorescer, the energy resulted from the reaction of oxalate ester and peroxide is transferred to fluorescer and cause it to fluorsc. the effect of reactants chemical structure, their concentration, solvent media (polarity and viscosity) and the temperature, on the intensity of the illuminated light with respect to time have been st...

The correct representation of solute-water interactions is essential for the accurate simulation of most biological phenomena. Several highly accurate quantum methods are available to deal with solvation by using both implicit and explicit solvents. So far, however, most evaluations of those methods were based on a single conformation, which neglects solute entropy. Here, we present the first t...

Liquid benzoquinone and naphthoquinone having diethylene glycol monomethyl ether groups are designed and synthesized as redox active materials that dissolve supporting electrolytes. The Li-ion batteries based on the liquid quinones using LiBF4 /PC show good performance in terms of voltage, capacity, energy efficiency, and cyclability in both static and flow modes. A battery is constructed witho...

in order to represent the potential energy function over the whole range of r, many potentialenergy functions have been proposed. in the present paper, we employ many potential energyfunctions, to use numerov method for solving the nuclear schrödinger equation for the ifmolecule, as an example of a heteronuclear diatomic molecules. then we determine thespectroscopic constants eω , e e x ω , e b...

We study the spin dependence of accretion onto rotating Kerr black holes using analytic techniques. In its linear regime, angular momentum transport in MHD turbulent accretion flow involves the generation of radial magnetic field connecting plasma in a differentially rotating flow. We take a first principles approach, highlighting the constraint that limits the generation and amplification of r...

BACKGROUND Lignocellulosic biomass is one of the most promising alternatives for replacing mineral resources to overcome global warming, which has become the most important environmental issue in recent years. Furfural was listed by the National Renewable Energy Laboratory as one of the top 30 potential chemicals arising from biomass. However, the current production of furfural is energy intens...

Implicit solvent models for biomolecular simulations are reviewed and their underlying statistical mechanical basis is discussed. The fundamental quantity that implicit models seek to approximate is the solute potential of mean force, which determines the statistical weight of solute conformations, and which is obtained by averaging over the solvent degrees of freedom. It is possible to express...

Photoelectron ~PE! spectra of ClH2 2 and ClD2 2 were measured at 299 nm ~4.154 eV!. Photodetachment of these anions accesses the prereactive van der Waals well on the ground state Cl1H2 potential energy surface, as well as the low-lying spin–orbit excited states resulting from the interaction of Cl and Cl* with H2 . The PE spectra are dominated by two relatively narrow peaks corresponding to tr...

Due to the improvement of computer power and the development of efficient algorithms it is now possible to combine high-dimensional quantum dynamical calculations of the dissociative adsorption of molecular beams with reliable ab-initio potential energy surfaces (PES). In this brief review two recent examples of such studies of the systems H2/Cu(111), where adsorption is hindered by a noticeabl...

SPECIAL ISSUE PAPERS Effective Sparse Dynamic Programming Algorithms for Merged and Block Merged LCS Problems AHM Mahfuzur Rahmana and M. Sohel Rahmana An Efficient and Scalable Approach for Ontology Instance Matching Rudra Pratap Deb Nath, Hanif Seddiqui, and Masaki Aono Longest Common Subsequence Problem for Run-Length-Encoded Strings Shegufta Bakht Ahsan, Syeda Persia Aziz, and M. Sohel Rahm...