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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… 
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Related topics

Related topics

9 relations
COSMO Solvation ModelDensity functional theoryFragment molecular orbitalGaussian (software)

Broader (1)

Computational chemistry

Papers overview

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2017
2017
Isomeric xylene molecules in the Terahertz-far infrared regime: Computational chemistry and spectral modeling view
2015
2015
Polarizable continuum model solvation analysis of some isatin derivatives
Polarizable continuum model analysis has been carried out for 5-chloroisatin, 5-methylisatin and 5-methoxyisatin in ten solvents… 
2014
2014
Computational Study of a Heterostructural Model of Type I Collagen and Implementation of an Amino Acid Potential Method Applicable to Large Proteins
Collagen molecules are the primary structural proteins of many biological systems. Much progress has been made in the study of… 
2013
2013
Short-Time Events, Coherence, and Structural Dynamics in Photochemistry of Aqueous Halogenated Transition Metal Dianions
Ultrafast pump-probe spectroscopy, time-resolved x-ray absorption, and computational photochemistry elucidate the photochemical… 
2012
2012
Theoretical Investigation on the Solubilization in Water of Functionalized Single-Wall Carbon Nanotubes
An important technique to increase the solubility and reactivity of carbon nanotube is through functionalization. In this study… 
2012
2012
Study of the chemical evolution and spectral signatures of some interstellar precursor molecules of adenine, glycine & alanine
2009
2009
WAVELET BEM ON MOLECULAR SURFACES — PARAMETRIZATION AND IMPLEMENTATION
. The present paper is dedicated to the rapid solution of boundary integral equations arising from solvation continuum models. We… 
2008
2008
Polarization and solvatochromic shift of ortho-betaine in water
2001
2001
Calculation of electron-energy-loss spectra of composites and self-similar structures
We calculate electron-energy-loss spectra for self-similar systems of polarizable spheres using a previously developed theory for… 
2000
2000
Electron energy-loss spectroscopy in systems of polarizable spheres
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