Solvent-Induced Shift of the Lowest Singlet π → π* Charge-Transfer Excited State of p-Nitroaniline in Water: An Application of the TDDFT/EFP1 Method-Reference-Cited by-同舟云学术

Solvent-Induced Shift of the Lowest Singlet π → π* Charge-Transfer Excited State of p-Nitroaniline in Water: An Application of the TDDFT/EFP1 Method

Published:2011-08-11 Issue:35 Volume:115 Page:9801-9809
ISSN:1089-5639
Container-title:The Journal of Physical Chemistry A
language:en
Short-container-title:J. Phys. Chem. A

Author:

Sok Sarom¹,Willow Soohaeng Y.²,Zahariev Federico¹,Gordon Mark S.¹

Affiliation:

1. Department of Chemistry and Ames Laboratory, Iowa State University, Ames, Iowa 50011-3111, United States

2. Center for Superfunctional Materials, Department of Chemistry, Pohang University of Science and Technology, San 31, Hyojadong, Namgu, Pohang 790-784, Korea

Publisher

American Chemical Society (ACS)

Subject

Physical and Theoretical Chemistry

Link

https://pubs.acs.org/doi/pdf/10.1021/jp2045564

Reference85 articles.

1. Solvation Effects on Molecules and Biomolecules

2. The Fragment Molecular Orbital-Based Time-Dependent Density Functional Theory for Excited States in Large Systems

3. Continuum Solvation Models in Chemical Physics

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