The present review is centered on methodological issues on continuum solvation models, with a perspective focused on the most recent developments. The body of the theory developed in the first 30 years of the “modern” solvation methods is summarized, giving emphasis to those aspects that are at the basis of all recent extensions and reformulations of the model. Some among them were already considered in the previous reviews, reflecting, however, the provisional state of the methodological elaboration, now accomplished; others correspond to new entries in the theory
The quantum mechanical SMD continuum universal solvation model can be applied to predict the free en...
In this article, the most advanced extensions of solvation models to chiroptical properties of solva...
Continuum models to handle solvent and electrolyte effects in an effective way have a long tradition...
Polarizable continuum solvation models are nowadays the most popular approach to describe solvent ef...
Some general aspects of the solvation models based on an effective Hamiltonian and a continuous solv...
In a recent Account, Cramer and Truhlar presented a comparison between the SM8 method and standard v...
Abstract In the last years solvation continuum models have been coupled with modern quantum chemical...
In a recent Account, Cramer and Truhlar presented a comparison between the SM8 method and standard v...
A comparative description of two different hybrid solvation models is presented, both of them descri...
Molecular modeling is nowadays a well-established analytical tool exactly as spectroscopies or othe...
Polarizable continuum solvation models are nowadays the most popular approach to describe solvent ef...
We present an integrated QM/classical approach to treat solvation at diffuse solvent surfaces and in...
The study of molecular systems in a condensed phase with quantum-mechanical tools introduces problem...
We examine the state of the art of the solvation procedure called the polarizable continuum model (P...
The study of molecular systems in a condensed phase with quantum-mechanical tools introduces problem...
The quantum mechanical SMD continuum universal solvation model can be applied to predict the free en...
In this article, the most advanced extensions of solvation models to chiroptical properties of solva...
Continuum models to handle solvent and electrolyte effects in an effective way have a long tradition...
Polarizable continuum solvation models are nowadays the most popular approach to describe solvent ef...
Some general aspects of the solvation models based on an effective Hamiltonian and a continuous solv...
In a recent Account, Cramer and Truhlar presented a comparison between the SM8 method and standard v...
Abstract In the last years solvation continuum models have been coupled with modern quantum chemical...
In a recent Account, Cramer and Truhlar presented a comparison between the SM8 method and standard v...
A comparative description of two different hybrid solvation models is presented, both of them descri...
Molecular modeling is nowadays a well-established analytical tool exactly as spectroscopies or othe...
Polarizable continuum solvation models are nowadays the most popular approach to describe solvent ef...
We present an integrated QM/classical approach to treat solvation at diffuse solvent surfaces and in...
The study of molecular systems in a condensed phase with quantum-mechanical tools introduces problem...
We examine the state of the art of the solvation procedure called the polarizable continuum model (P...
The study of molecular systems in a condensed phase with quantum-mechanical tools introduces problem...
The quantum mechanical SMD continuum universal solvation model can be applied to predict the free en...
In this article, the most advanced extensions of solvation models to chiroptical properties of solva...
Continuum models to handle solvent and electrolyte effects in an effective way have a long tradition...