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Continuous surface charge polarizable continuum models of solvation. I. General formalism
Continuous surface charge polarizable continuum models of solvation. I. General formalism
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Continuous surface charge polarizable continuum models of solvation. I. General formalism

Scalmani, Giovanni ; Frisch, Michael J

The Journal of chemical physics, 2010-03, Vol.132 (11), p.114110-114110 [Periódico revisado por pares]

United States

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A state-specific polarizable continuum model time dependent density functional theory method for excited state calculations in solution
A state-specific polarizable continuum model time dependent density functional theory method for excited state calculations in solution
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A state-specific polarizable continuum model time dependent density functional theory method for excited state calculations in solution

Improta, Roberto ; Barone, Vincenzo ; Scalmani, Giovanni ; Frisch, Michael J

The Journal of chemical physics, 2006-08, Vol.125 (5), p.054103-054103-9 [Periódico revisado por pares]

United States: American Institute of Physics

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3
Toward effective and reliable fluorescence energies in solution by a new state specific polarizable continuum model time dependent density functional theory approach
Toward effective and reliable fluorescence energies in solution by a new state specific polarizable continuum model time dependent density functional theory approach
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Toward effective and reliable fluorescence energies in solution by a new state specific polarizable continuum model time dependent density functional theory approach

Improta, Roberto ; Scalmani, Giovanni ; Frisch, Michael J ; Barone, Vincenzo

The Journal of chemical physics, 2007-08, Vol.127 (7), p.074504-074504 [Periódico revisado por pares]

United States

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4
A New Approach to Noncollinear Spin Density Functional Theory beyond the Local Density Approximation
A New Approach to Noncollinear Spin Density Functional Theory beyond the Local Density Approximation
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A New Approach to Noncollinear Spin Density Functional Theory beyond the Local Density Approximation

Scalmani, Giovanni ; Frisch, Michael J

Journal of chemical theory and computation, 2012-07, Vol.8 (7), p.2193-2196 [Periódico revisado por pares]

United States: American Chemical Society

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5
Calculation of magnetic properties with density functional approximations including rung 3.5 ingredients
Calculation of magnetic properties with density functional approximations including rung 3.5 ingredients
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Calculation of magnetic properties with density functional approximations including rung 3.5 ingredients

Scalmani, Giovanni ; Frisch, Michael J. ; Janesko, Benjamin G.

The Journal of chemical physics, 2020-10, Vol.153 (16), p.164101-164101 [Periódico revisado por pares]

Melville: American Institute of Physics

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A Density Functional with Spherical Atom Dispersion Terms
A Density Functional with Spherical Atom Dispersion Terms
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A Density Functional with Spherical Atom Dispersion Terms

Austin, Amy ; Petersson, George A ; Frisch, Michael J ; Dobek, Frank J ; Scalmani, Giovanni ; Throssell, Kyle

Journal of chemical theory and computation, 2012-12, Vol.8 (12), p.4989-5007 [Periódico revisado por pares]

United States: American Chemical Society

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7
Geometries and properties of excited states in the gas phase and in solution: theory and application of a time-dependent density functional theory polarizable continuum model
Geometries and properties of excited states in the gas phase and in solution: theory and application of a time-dependent density functional theory polarizable continuum model
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Geometries and properties of excited states in the gas phase and in solution: theory and application of a time-dependent density functional theory polarizable continuum model

Scalmani, Giovanni ; Frisch, Michael J ; Mennucci, Benedetta ; Tomasi, Jacopo ; Cammi, Roberto ; Barone, Vincenzo

The Journal of chemical physics, 2006-03, Vol.124 (9), p.94107-94107 [Periódico revisado por pares]

United States

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8
Practical computation of electronic excitation in solution: vertical excitation model
Practical computation of electronic excitation in solution: vertical excitation model
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Practical computation of electronic excitation in solution: vertical excitation model

Marenich, Aleksandr V. ; Cramer, Christopher J. ; Truhlar, Donald G. ; Guido, Ciro A. ; Mennucci, Benedetta ; Scalmani, Giovanni ; Frisch, Michael J.

Chemical science (Cambridge), 2011-01, Vol.2 (11), p.2143-2161 [Periódico revisado por pares]

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9
Charge transfer excitations in TDDFT: A ghost‐hunter index
Charge transfer excitations in TDDFT: A ghost‐hunter index
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Charge transfer excitations in TDDFT: A ghost‐hunter index

Campetella, Marco ; Maschietto, Federica ; Frisch, Mike J. ; Scalmani, Giovanni ; Ciofini, Ilaria ; Adamo, Carlo

Journal of computational chemistry, 2017-09, Vol.38 (25), p.2151-2156 [Periódico revisado por pares]

United States: Wiley Subscription Services, Inc

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10
Practical auxiliary basis implementation of Rung 3.5 functionals
Practical auxiliary basis implementation of Rung 3.5 functionals
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Practical auxiliary basis implementation of Rung 3.5 functionals

Janesko, Benjamin G ; Scalmani, Giovanni ; Frisch, Michael J

The Journal of chemical physics, 2014-07, Vol.141 (3), p.034103-034103 [Periódico revisado por pares]

United States: American Institute of Physics

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