A theoretical study on the second-order nonlinear optical susceptibilities of lithium formate monohydrate crystal, HCOOLi·H2O

2003 ◽  
Vol 22 (4) ◽  
pp. 353-359 ◽  
Author(s):  
Chaoyong Mang ◽  
Kechen Wu ◽  
Chensheng Lin ◽  
Rongjian Sa ◽  
Ping Liu ◽  
...  
Keyword(s):  
Nonlinear Optical ◽  
Theoretical Study ◽  
Second Order ◽  
Lithium Formate ◽  
Lithium Formate Monohydrate

Second-order nonlinear optical properties of two chalcone derivatives: insights from sum-over-states

2021 ◽  
Author(s):  
Jean Custodio ◽  
Giulio Demetrius Creazo d'Oliveira ◽  
Fernando Gotardo ◽  
Leandro Cocca ◽  
Leonardo De Boni ◽  
...  
Keyword(s):  
Optical Properties ◽  
Nonlinear Optical ◽  
Theoretical Study ◽  
Second Order ◽  
Nonlinear Optical Properties ◽  
Chalcone Derivatives

In the following study, a combined experimental and theoretical study of the nonlinear optical properties (NLO) of two chalcone derivatives, (E)-3-(2-methoxyphenyl)-1-(2-(phenylsulfonylamine)phenyl)prop-2-en-1-one (MPSP) and (E)-3-(3-nitrophenyl)-1-(2-(phenylsulfonylamine)phenyl)prop-2-en-1-one (NPSP) in DMSO is reported. Single...

Second-order nonlinear optical properties of [60]fullerene-fused dihydrocarboline derivates: a theoretical study on switch effect

2019 ◽  
Vol 7 (42) ◽  
pp. 13052-13058 ◽  
Author(s):  
Nana Ma ◽  
Mingyue Lv ◽  
Tongxin Liu ◽  
Mengxiao Song ◽  
Yan Liu ◽  
...  
Keyword(s):  
Optical Properties ◽  
Nonlinear Optical ◽  
Theoretical Study ◽  
Theoretical Calculations ◽  
Second Order ◽  
Nonlinear Optical Properties ◽  
First Hyperpolarizability

The theoretical calculations show that [60]fullerene-fused dihydrocarboline derivatives exhibit significant first hyperpolarizability contrasts induced by their electrochemical feature.

Theoretical Study on Second-order Nonlinear Optical Properties of Substituted Thiazole Derivatives

2010 ◽  
Vol 19 (4) ◽  
pp. 332-339 ◽  
Author(s):  
Yong-Jun Liu ◽  
Ying Liu ◽  
Xian Zhao ◽  
Hai-Quan Hu ◽  
Dong-Ju Zhang ◽  
...  
Keyword(s):  
Optical Properties ◽  
Nonlinear Optical ◽  
Theoretical Study ◽  
Second Order ◽  
Nonlinear Optical Properties ◽  
Thiazole Derivatives

Theoretical Study on the Considerable Second-Order Nonlinear Optical Properties of Naphthylimido-Substituted Hexamolybdates

2008 ◽  
Vol 112 (40) ◽  
pp. 9919-9923 ◽  
Author(s):  
Li-Kai Yan ◽  
Ming-Shun Jin ◽  
Jia Zhuang ◽  
Chun-Guang Liu ◽  
Zhong-Min Su ◽  
...  
Keyword(s):  
Optical Properties ◽  
Nonlinear Optical ◽  
Theoretical Study ◽  
Second Order ◽  
Nonlinear Optical Properties

scholarly journals Theoretical study on the electronic structure and second-order nonlinear optical properties of benzannulated or selenophene-annulated expanded helicenes

RSC Advances ◽  
2019 ◽  
Vol 9 (30) ◽  
pp. 17382-17390 ◽  
Author(s):  
Li-jing Gong ◽  
Chun-yu Liu ◽  
Cheng Ma ◽  
Wan-feng Lin ◽  
Jin-kai Lv ◽  
...  
Keyword(s):  
Optical Properties ◽  
Electronic Structure ◽  
Dft Calculations ◽  
Nonlinear Optical ◽  
Theoretical Study ◽  
Second Order ◽  
Nonlinear Optical Properties

The nonlinear optical properties of the studied helicenes were studied with the aid of the DFT calculations.

Theoretical study on functionalized acrylonitrile compounds with a large second-order nonlinear optical response

2020 ◽  
Vol 44 (45) ◽  
pp. 19623-19629
Author(s):  
Lijing Gong ◽  
Cheng Ma ◽  
Tiejun Liu ◽  
Jinkai Lv ◽  
Xianchao Xun
Keyword(s):  
Optical Properties ◽  
Dft Calculations ◽  
Nonlinear Optical ◽  
Theoretical Study ◽  
Optical Response ◽  
Second Order ◽  
Nonlinear Optical Properties ◽  
Nonlinear Optical Response

The nonlinear optical properties of the studied compounds were studied with the help of DFT calculations.

A THEORETICAL STUDY ON SECOND HARMONIC GENERATION HYPERPOLARIZABILITIES OF PHENYLALANINE POLYPEPTIDES

2013 ◽  
Vol 12 (02) ◽  
pp. 1250118 ◽  
Author(s):  
JING WEI ◽  
JIN-YUN WANG ◽  
MIN-YI ZHANG ◽  
GUO-LIANG CHAI ◽  
CHEN-SHENG LIN ◽  
...  
Keyword(s):  
Second Harmonic Generation ◽  
Harmonic Generation ◽  
Nonlinear Optical ◽  
Theoretical Study ◽  
Second Harmonic ◽  
Protein Secondary Structure ◽  
Second Order ◽  
Propagation Direction ◽  
Energy Gaps ◽  
Β Sheet

The second harmonic generation (SHG) hyperpolarizabilities of phenylalanine and homopolypeptides are investigated by configuration interaction among singly excited configurations (CIS) technique combined with the sum-over-states (SOS) method. The geometries of peptides containing phenylalanine ( Phe )n(n = 1–8) are optimized by B3LYP/6-31g(d) method, and they form the special structures like β-sheet (a common protein secondary structure). It is found that the energy gaps of various peptides are reduced and the hyperpolarizabilities are increased with the peptide chains lengthened. We discuss the origin of the second-order nonlinear optical response in phenylalanine homopolypeptides and confirm that the π → π* transitions in the aromatic residue of phenylalanine make the most important contributions to the second-order polarizability. Our results strongly suggest that the hyperpolarizabilities are dominated from the propagation direction of peptide chains.

Combined Experimental and Theoretical Study on Redox-Active d8Metal Dithione–Dithiolato Complexes Showing Molecular Second-Order Nonlinear Optical Activity

2011 ◽  
Vol 50 (20) ◽  
pp. 10015-10027 ◽  
Author(s):  
Luca Pilia ◽  
Davide Espa ◽  
Alberto Barsella ◽  
Alain Fort ◽  
Christodoulos Makedonas ◽  
...  
Keyword(s):  
Optical Activity ◽  
Nonlinear Optical ◽  
Theoretical Study ◽  
Second Order ◽  
Redox Active
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