QM/MM investigation of the concentration effects on the second-order nonlinear optical responses of solutions-Reference-Cited by-同舟云学术

QM/MM investigation of the concentration effects on the second-order nonlinear optical responses of solutions

Published:2014-12-21 Issue:23 Volume:141 Page:234104
ISSN:0021-9606
Container-title:The Journal of Chemical Physics
language:en
Short-container-title:The Journal of Chemical Physics

Author:

Hidalgo Cardenuto Marcelo¹²,Champagne Benoît¹^ORCID

Affiliation:

1. Laboratoire de Chimie Théorique, Unité de Chimie Physique Théorique et Structurale, University of Namur, rue de Bruxelles, 61, B-5000 Namur, Belgium

2. Instituto de Física, Universidade de São Paulo, CP 66318, 05314-970 São Paulo, SP, Brazil

Funder

ARC Tintin

CNPq (Brazil) and University of Sao Paulo

IAP 7/5

University of Namur

Fonds De La Recherche Scientifique - FNRS (Belgian National Fund for Scientific Research)

Publisher

AIP Publishing

Subject

Physical and Theoretical Chemistry,General Physics and Astronomy

Link

http://aip.scitation.org/doi/pdf/10.1063/1.4903545

Reference42 articles.

1. Investigation of the linear and second-order nonlinear optical properties of molecular crystals within the local field theory

2. Effect of the surroundings on atomic and molecular properties

3. Medium effects on the properties of chemical systems: Electric and magnetic response of donor-acceptor systems within the polarizable continuum model

4. Effects on hyperpolarizabilities of molecular interactions in associating liquid mixtures

Cited by 21 articles. 订阅此论文施引文献订阅此论文施引文献，注册后可以免费订阅5篇论文的施引文献，订阅后可以查看论文全部施引文献

1. FROG: Exploiting all-atom molecular dynamics trajectories to calculate linear and non-linear optical responses of molecular liquids within Dalton’s QM/MM polarizable embedding scheme;The Journal of Chemical Physics;2024-05-15

2. Hyperpolarizabilities of Push–Pull Chromophores in Solution: Interplay between Electronic and Vibrational Contributions;Molecules;2022-12-09

3. Predicting the Second-Order Nonlinear Optical Responses of Organic Materials: The Role of Dynamics;Accounts of Chemical Research;2022-12-05

4. Density functional theory investigation of the second hyperpolarizability of the phenol blue in solution;Chemical Physics Letters;2022-06

5. Applicability of DFT functionals for evaluating the first hyperpolarizability of phenol blue in solution;The Journal of Chemical Physics;2021-03-07