(Q51625649)

English

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

scientific article published in August 2007

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scholarly article

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Europe PubMed Central

PubMed publication ID

8 April 2018

http://europepmc.org/abstract/MED/17718617

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

1 reference

Europe PubMed Central

PubMed publication ID

8 April 2018

http://europepmc.org/abstract/MED/17718617

density functional theory

1 reference

based on heuristic

inferred from title

Vincenzo Barone

4

object named as

Vincenzo Barone

1 reference

Europe PubMed Central

PubMed publication ID

8 April 2018

author name string

Roberto Improta

1

1 reference

Europe PubMed Central

PubMed publication ID

8 April 2018

http://europepmc.org/abstract/MED/17718617

Giovanni Scalmani

2

1 reference

Europe PubMed Central

PubMed publication ID

8 April 2018

http://europepmc.org/abstract/MED/17718617

Michael J Frisch

3

1 reference

Europe PubMed Central

PubMed publication ID

8 April 2018

http://europepmc.org/abstract/MED/17718617

language of work or name

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publication date

1 August 2007

1 reference

Europe PubMed Central

PubMed publication ID

8 April 2018

http://europepmc.org/abstract/MED/17718617

Journal of Chemical Physics

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Europe PubMed Central

PubMed publication ID

8 April 2018

http://europepmc.org/abstract/MED/17718617

127

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Europe PubMed Central

PubMed publication ID

8 April 2018

http://europepmc.org/abstract/MED/17718617

7

1 reference

Europe PubMed Central

PubMed publication ID

8 April 2018

http://europepmc.org/abstract/MED/17718617

074504

1 reference

Europe PubMed Central

PubMed publication ID

8 April 2018

http://europepmc.org/abstract/MED/17718617

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A time-dependent polarizable continuum model: theory and application

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21 January 2018

Electronic excitation energies of molecules in solution: State specific and linear response methods for nonequilibrium continuum solvation models

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Electronic excitation energies of molecules in solution within continuum solvation models: Investigating the discrepancy between state-specific and linear-response methods

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21 January 2018

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

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21 January 2018

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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21 January 2018

Absorption and fluorescence spectra of uracil in the gas phase and in aqueous solution: a TD-DFT quantum mechanical study

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Time-dependent density functional theory for molecules in liquid solutions

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Time-dependent density functional theory investigation of the absorption, fluorescence, and phosphorescence spectra of solvated coumarins

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New developments in the polarizable continuum model for quantum mechanical and classical calculations on molecules in solution

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Identifiers

10.1063/1.2757168

1 reference

Europe PubMed Central

PubMed publication ID

8 April 2018

http://europepmc.org/abstract/MED/17718617

PubMed publication ID

1 reference

Europe PubMed Central

PubMed publication ID

8 April 2018

http://europepmc.org/abstract/MED/17718617

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