Single-reference ab initio Methods for the calculation of excited states of large molecules

Article Abstract:

A time-dependent density functional theory (TDDFT) that is the most prominent method for the calculation of excited states of medium-sized and large molecules is reviewed. The findings claim that an approximation might be an excellent one for one class of excited states but at the same time a very poor one for another equally important class of excited states.

California, Density functionals, Density functional theory, Molecular orbitals, Hartree-Fock approximation

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Investigating and exploiting the electrocatalytic properties of hydrogenases

Article Abstract:

Various studies are conducted to investigate and explain the different electrocatalytic properties of hydrogenases, the enzymes used for hydrogen production. Dihydrogen molecules are not completely soluble in water and hence are catalyzed to form hydrogenases, which can then be used as an energy source.

Oxidoreductases, Voltammetry, Structure, Chemical properties

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Electrochemiluminescence (ECL)

Article Abstract:

The principles of light-emitting systems and applications of electrochemiluminescence (ECL) are presented. ECL is a powerful tool for understanding fundamental questions in chemistry, biology and physics.

Chemiluminescence, Light emission

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