Solvation Effects on Electronic Transitions: Exploring the Performance of Advanced Solvent Potentials in Polarizable Embedding Calculations-Reference-Cited by-同舟云学术

Solvation Effects on Electronic Transitions: Exploring the Performance of Advanced Solvent Potentials in Polarizable Embedding Calculations

Published:2011-06-01 Issue:7 Volume:7 Page:2209-2217
ISSN:1549-9618
Container-title:Journal of Chemical Theory and Computation
language:en
Short-container-title:J. Chem. Theory Comput.

Author:

Schwabe Tobias¹,Olsen Jógvan Magnus Haugaard²,Sneskov Kristian¹³,Kongsted Jacob²,Christiansen Ove¹³

Affiliation:

1. Center for Oxygen Microscopy and Imaging, Department of Chemistry, Aarhus University, Langelandsgade 140, DK-8000 Aarhus C, Denmark

2. Department of Physics and Chemistry, University of Southern Denmark, Campusvej 55, DK-5230 Odense M, Denmark

3. The Lundbeck Foundation Center for Theoretical Chemistry, Department of Chemistry, Aarhus University, Langelandsgade 140, DK-8000 Aarhus C, Denmark

Publisher

American Chemical Society (ACS)

Subject

Physical and Theoretical Chemistry,Computer Science Applications

Link

https://pubs.acs.org/doi/pdf/10.1021/ct200258g

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4. Applications and validations of the Minnesota density functionals

5. Frenkel, D.; Smit, B.Understanding Molecular Simulation: From Algorithms to Applicatons;Academic Press:San Diego, CA, 1996; Chapter 7, pp151–176.

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