Polarizable continuum model

Known as: PCM (disambiguation) 
The polarizable continuum model (PCM) is a commonly used method in computational chemistry to model solvation effects. If it were necessary to… (More)
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2015
2015
Polarizable continuum model analysis has been carried out for 5-chloroisatin, 5-methylisatin and 5-methoxyisatin in ten solvents… (More)
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2015
2015
A quantum chemical method for studying potential energy surfaces of reactive molecular systems at extreme high pressures is… (More)
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2010
2010
The first implementation of a wavelet discretization of the Integral Equation Formalism (IEF) for the Polarizable Continuum Model… (More)
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2010
2010
The analytic energy gradients for the combined fragment molecular orbital and polarizable continuum model (FMO/PCM) method are… (More)
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2008
2008
The polarizable continuum model (PCM) for describing the solvent effect was combined with the fragment molecular orbital-based… (More)
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2006
2006
The polarizable continuum model (PCM) for the description of solvent effects is combined with the fragment molecular orbital (FMO… (More)
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2004
2004
A new integration grid for the Polarizable Continuum Model reaction field is presented. In this scheme (called TsLess) the… (More)
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Highly Cited
2003
Highly Cited
2003
The conductor-like solvation model, as developed in the framework of the polarizable continuum model (PCM), has been reformulated… (More)
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Highly Cited
1998
Highly Cited
1998
A new implementation of analytical gradients for the polarizable continuum model is presented, which allows Hartree-Fock and… (More)
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1998
1998
An efficient version of the polarizable continuum model for solvation has been implemented in the Gaussian density-functional… (More)
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