On the Performance of Hybrid Functionals for Non-linear Optical Properties and Electronic Excitations in Chiral Molecular Crystals: The Case of Butterfly-Shaped Dicinnamalacetone-Reference-Cited by-同舟云学术

On the Performance of Hybrid Functionals for Non-linear Optical Properties and Electronic Excitations in Chiral Molecular Crystals: The Case of Butterfly-Shaped Dicinnamalacetone

Published:2017-12-13 Issue:1 Volume:19 Page:82-92
ISSN:1439-4235
Container-title:ChemPhysChem
language:en
Short-container-title:ChemPhysChem

Author:

da Silva Pedro S. Pereira¹^ORCID,Martín-Ramos Pablo¹²^ORCID,Domingos Sérgio R.³⁴,Bota de Sousa Maria do Carmo⁵,Arranja Cláudia T.⁵,Sobral Abílio J. F. N.⁵,Ramos Silva Manuela¹

Affiliation:

1. CFisUC, Department of Physics; University of Coimbra; Rua Larga 3004-516 Coimbra Portugal

2. IUCA; University of Zaragoza, EPS, Carretera; de Cuarte s/n 22071 Huesca Spain

3. Van ‘t Hoff Institute for Molecular Sciences; University of Amsterdam; Science Park 904 1098 HX Amsterdam The Netherlands

4. Current address: Max Planck Institute for the Structure and Dynamics of Matter; Luruper Chaussee 149, Geb.99. 22761 Hamburg Germany

5. CQC; Chemistry Department, University of Coimbra; Rua Larga 3004-535 Coimbra Portugal

Funder

Fundação para a Ciência e a Tecnologia

Publisher

Wiley

Subject

Physical and Theoretical Chemistry,Atomic and Molecular Physics, and Optics

Reference71 articles.

1. Generation of Optical Harmonics

2. New molecular design approach for noncentrosymmetric crystal structures: Lambda (Λ)‐shaped molecules for frequency doubling

3. Molecular engineering implications of rotational invariance in quadratic nonlinear optics: From dipolar to octupolar molecules and materials

4. Crystal Structure and Experimental and Theoretical Studies of the Second-Order Nonlinear Optical Properties of Salts of Triphenylguanidine with Carboxylic Acids

5. Amplification of the linear and nonlinear optical response of a chiral molecular crystal

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