new type of heterogeneous nanocatalyst for deoximation based on tungsten oxide supported on mesoporousmolecular sieve mcm-41 was developed. this new system representes inexpensive and highly activeheterogeneous nanocatalyst for deoximation under green and mild reaction conditions.

The promise of chemical computation lies in controlling systems incompatible with traditional electronic micro-controllers, with applications in synthetic biology and nano-scale manufacturing. Computation is typically embedded in kinetics—the specific time evolution of a chemical system. However, if the desired output is not thermodynamically stable, basic physical chemistry dictates that therm...

The thermodynamics of computation applies ideas from thermal and statistical physics to physical devices implementing computations. Its major focus has been to characterize the principled limits to thermal dissipation in these devices. The best case of no dissipation arises when we use processes that create no thermodynamic entropy. They are thermodynamically reversible processes in which all d...

This study is intended to provide the mathematical foundation for the numerical computation of the parameter identification problems of the three-dimensional two-layer thermodynamic system of sea ice. The non-smooth thermodynamic system with mixed boundary conditions is established, its properties are obtained and the first-order necessary conditions of the parameter identification problem of t...

We report methods to predict the intrinsic aqueous solubility of crystalline organic molecules from two different thermodynamic cycles. We find that direct computation of solubility, via ab initio calculation of thermodynamic quantities at an affordable level of theory, cannot deliver the required accuracy. Therefore, we have turned to a mixture of direct computation and informatics, using the ...