Modeling the Structure and Absorption Spectra of Stilbazolium Merocyanine in Polar and Nonpolar Solvents Using Hybrid QM/MM Techniques-Reference-Cited by-同舟云学术

Modeling the Structure and Absorption Spectra of Stilbazolium Merocyanine in Polar and Nonpolar Solvents Using Hybrid QM/MM Techniques

Published:2010-10-06 Issue:42 Volume:114 Page:13349-13357
ISSN:1520-6106
Container-title:The Journal of Physical Chemistry B
language:en
Short-container-title:J. Phys. Chem. B

Author:

Arul Murugan N.¹,Kongsted Jacob¹,Rinkevicius Zilvinas¹,Aidas Kestutis¹,Ågren Hans¹

Affiliation:

1. Department of Theoretical Chemistry, School of Biotechnology, Royal Institute of Technology, SE-10691 Stockholm, Sweden, Department of Physics and Chemistry, University of Southern Denmark, Campusvej 55, DK-5230 Odense M, Denmark, and Department of Chemistry, H. C. ⌀rsted Institute, University of Copenhagen, Universitetsparken 5, DK-2100 Copenhagen ⌀, Denmark

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/jp1060717

Reference84 articles.

1. An MD/QM Study of the Chorismate Mutase-Catalyzed Claisen Rearrangement Reaction

2. New developments in Monte Carlo/quantum mechanics methodology. The solvatochromism of β-carotene in different solvents

3. Theoretical studies of enzymic reactions: Dielectric, electrostatic and steric stabilization of the carbonium ion in the reaction of lysozyme

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