On the creation of the first ruby laser in Moscow

Spectral Shift of the n → π* Transition for Acetone and Formic Acid with an Explicit Solvent Model

“…Even so, it cannot be directly adopted to cope with nonequilibrium phenomena without some special treatment. Leontovich once introduced a constrained equilibrium approach to treat nonequilibrium states within the framework of classical thermodynamics and it can be recast into a form suitable for deriving the electrostatic solvation energy for the nonequilibrium polarization according to our recent investigation. Here we summarize it in essence: − , …”

Vertical Detachment Energy of Hydrated Electron Based on a Modified Form of Solvent Reorganization Energy

“…In particular, the entropies of the two states are the same because of the same configuration of the solvent. , Therefore, subtracting eq from eq yields the nonequilibrium solvation free energy F sol non = F sol * + ∫ V P 2 non · E ex normald V We see that state N and state C have a solvation free energy difference of ∫ V P 2 non · E ex d V . This is just the result of the example of nonequilibrium polarization taken by Leontovich in refs and (see the illustrations in p 122 of ref and p 104 of ref ).…”

“…The concept of local equilibrium makes sense for some cases, but it is difficult to establish a general approach for nonequilibrium situations. Leontovich , once introduced a constrained equilibrium approach to treat nonequilibrium states within the framework of classical thermodynamics, but it has not yet been generalized and applied in practice. Only recently we realized that this approach can be recast into a form suitable for deriving the nonequilibrium polarization.…”

“…Given the entropy S sol non and the internal energy U sol non of state N, we can directly define the nonequilibrium solvation free energy according to classical thermodynamics, , F sol non = U sol non − T S sol non The solvation free energy of the constrained equilibrium state C is defined in the same way, F sol * = U sol * − T S sol * It is easy to understand that state C and state N have the same temperature T . In particular, the entropies of the two states are the same because of the same configuration of the solvent. , Therefore, subtracting eq from eq yields the nonequilibrium solvation free energy F sol non = F sol * + ∫ V P 2 non · E ex normald V We see that state N and state C have a solvation free energy difference of ∫ V P 2 non · E ex d V . This is just the result of the example of nonequilibrium polarization taken by Leontovich in refs and (see the illustrations in p 122 of ref and p 104 of ref ).…”

“…For the more general cases, e.g., E ex 2 ≠ 0, the books by Leontovich , and the papers by us − can be referred to. Given the formal expression of the nonequilibrium solvation free energy F sol non , the solvent reorganization energy for the vertical detachment of the hydrated electron can be given as λ = F sol non − F sol , 2 eq where F sol,2 eq is the solvation free energy of the final equilibrium (state 2, see Figure ).…”