Accurate Steady-State and Zero-Time Fluorescence Spectra of Large Molecules in Solution by a First-Principle Computational Method-Reference-Cited by-同舟云学术

Accurate Steady-State and Zero-Time Fluorescence Spectra of Large Molecules in Solution by a First-Principle Computational Method

Published:2007-12-01 Issue:51 Volume:111 Page:14080-14082
ISSN:1520-6106
Container-title:The Journal of Physical Chemistry B
language:en
Short-container-title:J. Phys. Chem. B

Author:

Improta Roberto¹,Barone Vincenzo¹,Santoro Fabrizio¹

Affiliation:

1. Dipartimento di Chimica, Università Federico II, Complesso Monte S. Angelo, Via Cintia, I-80126 Napoli, Italy, and Istituto per i Processi Chimico-Fisici − CNR, Area della Ricerca del CNR, Via Moruzzi 1, I-56124 Pisa, Italy

Publisher

American Chemical Society (ACS)

Subject

Materials Chemistry,Surfaces, Coatings and Films,Physical and Theoretical Chemistry

Link

https://pubs.acs.org/doi/pdf/10.1021/jp7098569

Reference23 articles.

1. Time-dependent density functional theory: Past, present, and future

2. Geometric derivatives of excitation energies using SCF and DFT

3. Quantum Mechanical Continuum Solvation Models

4. 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

5. 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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