141 related articles for article (PubMed ID: 34023937)
1. Theoretical study by DFT of organometallic complexes based on metallocenes active in NLO.
Dairi M; Elhorri AM; Tchouar N; Boumedel H; Azizi S
J Mol Model; 2021 May; 27(6):179. PubMed ID: 34023937
[TBL] [Abstract][Full Text] [Related]
2. Theoretical study of the Tetraaminelithium and Tetraaminesodium molecules complexed with H
Bekri L; Elhorri AM; Hedidi M; Zouaoui-Rabah M
J Mol Model; 2023 Dec; 30(1):8. PubMed ID: 38091098
[TBL] [Abstract][Full Text] [Related]
3. Assessing the quantum mechanical level of theory for prediction of linear and nonlinear optical properties of push-pull organic molecules.
Paschoal D; Santos HF
J Mol Model; 2013 May; 19(5):2079-90. PubMed ID: 23149760
[TBL] [Abstract][Full Text] [Related]
4. Characteristics of new pyrrolic derivatives and their oligomers using DFT and TD-DFT calculations.
Zouaoui-Rabah M; Bekri L; Hedidi M; Elhorri AM; Madaoui Y
J Mol Model; 2023 Nov; 29(12):364. PubMed ID: 37945908
[TBL] [Abstract][Full Text] [Related]
5. Theoretical exploration of photoisomerization-switchable second-order nonlinear optical responses of two-dimendional λ- and w-shaped polyoxometalate derivatives of dithienylperfluorocyclopentene.
Ma TY; Ma NN; Yan LK; Zhang T; Su ZM
J Phys Chem A; 2013 Oct; 117(41):10783-9. PubMed ID: 24099065
[TBL] [Abstract][Full Text] [Related]
6.
Kiven DE; Nkungli NK; Tasheh SN; Ghogomu JN
R Soc Open Sci; 2023 Jan; 10(1):220430. PubMed ID: 36686549
[TBL] [Abstract][Full Text] [Related]
7. Electron Donor and Acceptor Influence on the Nonlinear Optical Response of Diacetylene-Functionalized Organic Materials (DFOMs): Density Functional Theory Calculations.
Khalid M; Hussain R; Hussain A; Ali B; Jaleel F; Imran M; Assiri MA; Khan MU; Ahmed S; Abid S; Haq S; Saleem K; Majeed S; Tariq CJ
Molecules; 2019 Jun; 24(11):. PubMed ID: 31159484
[TBL] [Abstract][Full Text] [Related]
8. Tuning the push-pull configuration for efficient second-order nonlinear optical properties in some chalcone derivatives.
Muhammad S; Al-Sehemi AG; Irfan A; Chaudhry AR
J Mol Graph Model; 2016 Jul; 68():95-105. PubMed ID: 27388121
[TBL] [Abstract][Full Text] [Related]
9. Switchable nonlinear optical properties of η5-monocyclopentadienylmetal complexes: a DFT approach.
Mendes PJ; Silva TJ; Garcia MH; Ramalho JP; Carvalho AJ
J Chem Inf Model; 2012 Aug; 52(8):1970-83. PubMed ID: 22830563
[TBL] [Abstract][Full Text] [Related]
10. Ab Initio Modeling of Donor-Acceptor Interactions and Charge-Transfer Excitations in Molecular Complexes: The Case of Terthiophene-Tetracyanoquinodimethane.
Aragó J; Sancho-García JC; Ortí E; Beljonne D
J Chem Theory Comput; 2011 Jul; 7(7):2068-77. PubMed ID: 26606478
[TBL] [Abstract][Full Text] [Related]
11. Exploration of nonlinear optical enhancement in acceptor-π-donor indacenodithiophene based derivatives
Abid S; Khalid M; Sagir M; Imran M; Braga AAC; Chandra Ojha S
RSC Adv; 2023 Sep; 13(40):28076-28088. PubMed ID: 37746336
[TBL] [Abstract][Full Text] [Related]
12. Theoretical investigation on switchable second-order nonlinear optical (NLO) properties of novel cyclopentadienylcobalt linear [4]phenylene complexes.
Wang WY; Du XF; Ma NN; Sun SL; Qiu YQ
J Mol Model; 2013 Apr; 19(4):1779-87. PubMed ID: 23306734
[TBL] [Abstract][Full Text] [Related]
13. Molecular and NLO Properties of Red Fluorescent Coumarins - DFT Computations Using Long-Range Separated and Conventional Functionals.
Sekar N; Katariya S; Rhyman L; Alswaidan IA; Ramasami P
J Fluoresc; 2019 Jan; 29(1):241-253. PubMed ID: 30554293
[TBL] [Abstract][Full Text] [Related]
14. Comparative assessment of structure-property relationships of new Cu(II) complex in selected density functionals.
Avcı D; Cömert HE; Sönmez F; Dege N; Tamer Ö; Atalay Y
Spectrochim Acta A Mol Biomol Spectrosc; 2024 Jan; 305():123489. PubMed ID: 37844450
[TBL] [Abstract][Full Text] [Related]
15. The MC-DFT approach including the SCS-MP2 energies to the new Minnesota-type functionals.
Liu PC; Hu WP
J Comput Chem; 2014 Aug; 35(21):1560-7. PubMed ID: 24923999
[TBL] [Abstract][Full Text] [Related]
16. Tunable Chiral Second-Order Nonlinear Optical Chromophores Based on Helquat Dications.
Buckley LER; Coe BJ; Rusanova D; Joshi VD; Sánchez S; Jirásek M; Vávra J; Khobragade D; Severa L; Císařová I; Šaman D; Pohl R; Clays K; Depotter G; Brunschwig BS; Teplý F
J Phys Chem A; 2017 Aug; 121(31):5842-5855. PubMed ID: 28703585
[TBL] [Abstract][Full Text] [Related]
17. Quantifying the Performances of DFT for Predicting Vibrationally Resolved Optical Spectra: Asymmetric Fluoroborate Dyes as Working Examples.
Bednarska J; Zaleśny R; Bartkowiak W; Ośmiałowski B; Medved' M; Jacquemin D
J Chem Theory Comput; 2017 Sep; 13(9):4347-4356. PubMed ID: 28777575
[TBL] [Abstract][Full Text] [Related]
18. Studying the Symphonizing Effect of NLO Properties in Hydrated and Non-hydrated Donor Acceptor Complexes Formed Via Charge Transfer.
Ahmed A; Ahmad A; Ahmad M; Mehkoom M; Afzal SM; Alam MJ; Ahmad S
J Fluoresc; 2024 Mar; 34(2):609-626. PubMed ID: 37329380
[TBL] [Abstract][Full Text] [Related]
19. Performance of Hybrid DFT Compared to MP2 Methods in Calculating Nonlinear Optical Properties of Divinylpyrene Derivative Molecules.
Zouaoui-Rabah M; Sekkal-Rahal M; Djilani-Kobibi F; Elhorri AM; Springborg M
J Phys Chem A; 2016 Nov; 120(44):8843-8852. PubMed ID: 27749050
[TBL] [Abstract][Full Text] [Related]
20. DFT and TD-DFT study on quadratic NLO response and optoelectronic activity in novel Y-shaped imidazole-based push-pull chromophores.
Kara Zaitri L; Mekelleche SM
J Mol Model; 2021 Apr; 27(5):136. PubMed ID: 33904015
[TBL] [Abstract][Full Text] [Related]
[Next] [New Search]
