Comment on “A smooth, nonsingular, and faithful discretization scheme for polarizable continuum models: The switching/Gaussian approach” [J. Chem. Phys. 133, 244111 (2010)]

Giovanni Scalmani; Michael J. Frisch

doi:10.1063/1.3567489

Comment on “A smooth, nonsingular, and faithful discretization scheme for polarizable continuum models: The switching/Gaussian approach” [J. Chem. Phys. 133, 244111 (2010)]

The Journal of Chemical Physics ◽

10.1063/1.3567489 ◽

2011 ◽

Vol 134 (11) ◽

pp. 117101 ◽

Cited By ~ 5

Author(s):

Giovanni Scalmani ◽

Michael J. Frisch

Keyword(s):

Chem Phys ◽

Continuum Models ◽

Discretization Scheme ◽

Polarizable Continuum

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Response to “Comment on ‘A smooth, nonsingular, and faithful discretization scheme for polarizable continuum models: The switching/Gaussian approach’” [J. Chem. Phys. 134, 117101 (2011)]

The Journal of Chemical Physics ◽

10.1063/1.3567490 ◽

2011 ◽

Vol 134 (11) ◽

pp. 117102 ◽

Cited By ~ 5

Author(s):

Adrian W. Lange ◽

John M. Herbert

Keyword(s):

Chem Phys ◽

Continuum Models ◽

Discretization Scheme ◽

Polarizable Continuum

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A smooth, nonsingular, and faithful discretization scheme for polarizable continuum models: The switching/Gaussian approach

The Journal of Chemical Physics ◽

10.1063/1.3511297 ◽

2010 ◽

Vol 133 (24) ◽

pp. 244111 ◽

Cited By ~ 97

Author(s):

Adrian W. Lange ◽

John M. Herbert

Keyword(s):

Continuum Models ◽

Discretization Scheme ◽

Polarizable Continuum

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Quantum Chemistry for Solvated Molecules on Graphical Processing Units Using Polarizable Continuum Models

Journal of Chemical Theory and Computation ◽

10.1021/acs.jctc.5b00370 ◽

2015 ◽

Vol 11 (7) ◽

pp. 3131-3144 ◽

Cited By ~ 43

Author(s):

Fang Liu ◽

Nathan Luehr ◽

Heather J. Kulik ◽

Todd J. Martínez

Keyword(s):

Quantum Chemistry ◽

Continuum Models ◽

Graphical Processing Units ◽

Solvated Molecules ◽

Graphical Processing ◽

Polarizable Continuum

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Analytical second derivatives of the free energy in solution by polarizable continuum models

The Journal of Chemical Physics ◽

10.1063/1.477265 ◽

1998 ◽

Vol 109 (15) ◽

pp. 6246-6254 ◽

Cited By ~ 148

Author(s):

Maurizio Cossi ◽

Vincenzo Barone

Keyword(s):

Free Energy ◽

Continuum Models ◽

Second Derivatives ◽

Polarizable Continuum ◽

Derivatives Of

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Improving Generalized Born Models by Exploiting Connections to Polarizable Continuum Models. I. An Improved Effective Coulomb Operator

Journal of Chemical Theory and Computation ◽

10.1021/ct300111m ◽

2012 ◽

Vol 8 (6) ◽

pp. 1999-2011 ◽

Cited By ~ 8

Author(s):

Adrian W. Lange ◽

John M. Herbert

Keyword(s):

Continuum Models ◽

Generalized Born ◽

Polarizable Continuum ◽

Coulomb Operator

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Erratum: Monte Carlo calculations of cluster statistics in continuum models of composite morphology [J. Chem. Phys. 88, 1198 (1988)]

The Journal of Chemical Physics ◽

10.1063/1.455743 ◽

1988 ◽

Vol 89 (5) ◽

pp. 3402-3402 ◽

Cited By ~ 1

Author(s):

E. M. Sevick ◽

P. A. Monson ◽

J. M. Ottino

Keyword(s):

Monte Carlo ◽

Chem Phys ◽

Continuum Models ◽

Monte Carlo Calculations

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An open quantum system theory for polarizable continuum models

The Journal of Chemical Physics ◽

10.1063/5.0003523 ◽

2020 ◽

Vol 152 (17) ◽

pp. 174114

Author(s):

Ciro A. Guido ◽

Marta Rosa ◽

Roberto Cammi ◽

Stefano Corni

Keyword(s):

System Theory ◽

Quantum System ◽

Open Quantum System ◽

Continuum Models ◽

Open Quantum ◽

Polarizable Continuum

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Mechanisms for Solvatochromic Shifts of Free-Base Porphine Studied with Polarizable Continuum Models and Explicit Solute–Solvent Interactions

Journal of Chemical Theory and Computation ◽

10.1021/ct300439r ◽

2012 ◽

Vol 9 (1) ◽

pp. 470-480 ◽

Cited By ~ 14

Author(s):

Ryoichi Fukuda ◽

Masahiro Ehara

Keyword(s):

Continuum Models ◽

Free Base ◽

Solvent Interactions ◽

Solvatochromic Shifts ◽

Polarizable Continuum

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Erratum: “Towards an accurate description of anharmonic infrared spectra in solution within the polarizable continuum model: Reaction field, cavity field and nonequilibrium effects” [J. Chem. Phys. 135, 104505 (2011)]

The Journal of Chemical Physics ◽

10.1063/1.3653267 ◽

2011 ◽

Vol 135 (14) ◽

pp. 149901 ◽

Cited By ~ 1

Author(s):

Chiara Cappelli ◽

Filippo Lipparini ◽

Julien Bloino ◽

Vincenzo Barone

Keyword(s):

Infrared Spectra ◽

Continuum Model ◽

Chem Phys ◽

Polarizable Continuum Model ◽

Model Reaction ◽

Accurate Description ◽

Cavity Field ◽

Reaction Field ◽

Nonequilibrium Effects ◽

Polarizable Continuum

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Liquid-State Quantum Chemistry: Computational Applications of the Polarizable Continuum Models

Computational Chemistry: Reviews of Current Trends ◽

10.1142/9789812830364_0004 ◽

1996 ◽

pp. 139-174 ◽

Cited By ~ 36

Author(s):

Jean-Louis RIVAIL ◽

Daniel RINALDI

Keyword(s):

Quantum Chemistry ◽

Liquid State ◽

Continuum Models ◽

Polarizable Continuum

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