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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 Model
Density functional theory
Fragment molecular orbital
Gaussian (software)
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Broader (1)
Computational chemistry
Papers overview
Semantic Scholar uses AI to extract papers important to this topic.
2014
2014
Achieving high electric energy storage in a polymer nanocomposite at low filling ratios using a highly polarizable phthalocyanine interphase
Jing Wang
,
Fangxiao Guan
,
Li Cui
,
Jilin Pan
,
Qing Wang
,
Lei Zhu
2014
Corpus ID: 54752472
Polymer nanodielectrics have become attractive for practical applications such as electric energy storage and electromechanical…
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Review
2012
Review
2012
Polarizable continuum model
B. Mennucci
2012
Corpus ID: 121504403
The polarizable continuum model (PCM) is a computational method originally formulated 30 years ago but still today it represents…
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2010
2010
Dipolophoresis in large-scale suspensions of ideally polarizable spheres
J. S. Park
,
D. Saintillan
Journal of Fluid Mechanics
2010
Corpus ID: 8038277
The nonlinear dynamics of uncharged ideally polarizable spheres freely suspended in a viscous electrolyte in a uniform electric…
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2008
2008
Polarization and solvatochromic shift of ortho-betaine in water
T. L. Fonseca
,
K. Coutinho
,
S. Canuto
2008
Corpus ID: 46981634
2006
2006
Interactions of biopolymers with silica surfaces : Force measurements and electronic structure calculation studies
K. Kwon
,
Virginia Vadillo-Rodríguez
,
B. Logan
,
J. Kubicki
2006
Corpus ID: 49323900
Highly Cited
2006
Highly Cited
2006
Solvation of monovalent anions in acetonitrile and N,N-dimethylformamide: Parameterization of the IEF-PCM model
E. S. Böes
,
P. R. Livotto
,
H. Stassen
2006
Corpus ID: 59155438
Highly Cited
2003
Highly Cited
2003
Improved second-order Møller–Plesset perturbation theory by separate scaling of parallel- and antiparallel-spin pair correlation energies
S. Grimme
2003
Corpus ID: 3001628
A simple modification of second-order Moller–Plesset perturbation theory (MP2) to improve the description of molecular ground…
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2003
2003
Solvation Free Energies of the Fullerenes C60 and C70 in the Framework of Polarizable Continuum Model
E. Stukalin
,
M. Korobov
,
N. Avramenko
2003
Corpus ID: 30202437
In the present study the scaled particle theory (SPT) along with the polarizable continuum model (PCM) were used to describe the…
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Highly Cited
2002
Highly Cited
2002
An Integrated Effective Fragment—Polarizable Continuum Approach to Solvation: Theory and Application to Glycine
P. Bandyopadhyay
,
M. Gordon
,
B. Mennucci
,
J. Tomasi
2002
Corpus ID: 36212159
A new discrete/continuum solvation model has been developed by combining the effective fragment potential (EFP) for the discrete…
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Highly Cited
1998
Highly Cited
1998
Geometry optimization of molecular structures in solution by the polarizable continuum model
V. Barone
,
M. Cossi
,
J. Tomasi
J. Comput. Chem.
1998
Corpus ID: 24633794
A new implementation of analytical gradients for the polarizable continuum model is presented, which allows Hartree‐Fock and…
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