(Q45388484)

https://www.ebi.ac.uk/europepmc/webservices/rest/search?query=EXT_ID:23968088%20AND%20SRC:MED&resulttype=core&format=json

8 March 2020

title

Theoretical study of the electronic excitations of free-base porphyrin-Ar2 van der Waals complexes (English)

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8 March 2020

2

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8 March 2020

author name string

Ryoichi Fukuda

series ordinal

1

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8 March 2020

language of work or name

English

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publication date

1 August 2013

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Journal of Chemical Physics

8 March 2020

published in

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8 March 2020

volume

139

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8 March 2020

issue

7

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8 March 2020

page(s)

074303

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The general theory of molecular forces

8 March 2020

cites work

1 reference

Accurate description of van der Waals complexes by density functional theory including empirical corrections

21 January 2018

1 reference

Semiempirical GGA-type density functional constructed with a long-range dispersion correction.

21 January 2018

1 reference

Density functional theory augmented with an empirical dispersion term. Interaction energies and geometries of 80 noncovalent complexes compared withab initioquantum mechanics calculations

21 January 2018

1 reference

Long-range corrected hybrid density functionals with damped atom-atom dispersion corrections

21 January 2018

1 reference

Extension of local response dispersion method to excited-state calculation based on time-dependent density functional theory.

21 January 2018

1 reference

Cluster expansion of the wavefunction. Symmetry‐adapted‐cluster expansion, its variational determination, and extension of open‐shell orbital theory

21 January 2018

1 reference

The equation of motion coupled‐cluster method. A systematic biorthogonal approach to molecular excitation energies, transition probabilities, and excited state properties

21 January 2018

1 reference

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

21 January 2018

1 reference

Theory of solvatochromic shifts in nonpolar solvents reveals a new spectroscopic rule

21 January 2018

1 reference

Density-functional thermochemistry. III. The role of exact exchange

21 January 2018

1 reference

Self‐consistent molecular orbital methods. XXIII. A polarization‐type basis set for second‐row elements

21 January 2018

1 reference

Gaussian basis sets for use in correlated molecular calculations. I. The atoms boron through neon and hydrogen

21 January 2018

1 reference

The calculation of small molecular interactions by the differences of separate total energies. Some procedures with reduced errors

21 January 2018

1 reference

Formulation and implementation of direct algorithm for the symmetry-adapted cluster and symmetry-adapted cluster-configuration interaction method.

21 January 2018

1 reference

Systematic optimization of long-range corrected hybrid density functionals

21 January 2018

1 reference

A doubles correction to electronic excited states from configuration interaction in the space of single substitutions

21 January 2018

1 reference

Excited states and electronic spectra of extended tetraazaporphyrins.

21 January 2018

1 reference

Density functional theory with dispersion corrections for supramolecular structures, aggregates, and complexes of (bio)organic molecules

21 January 2018

1 reference

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

21 January 2018

1 reference

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

21 January 2018

1 reference

21 January 2018

Identifiers

DOI

10.1063/1.4818277

1 reference

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8 March 2020

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