124 related articles for article (PubMed ID: 38422934)
41. Designing of gigantic first-order hyperpolarizability molecules via joining the promising organic fragments: a DFT study.
Kumar R; Yadav SK; Seth R; Singh A
J Mol Model; 2022 Dec; 29(1):5. PubMed ID: 36481956
[TBL] [Abstract][Full Text] [Related]
42. Frequency-dependent nonlinear optical response and refractive index investigation of lactone-derived thermochromic compounds.
Kosar N; Kanwal S; Sajid H; Ayub K; Gilani MA; Elfaki Ibrahim K; Gatasheh MK; Mary YS; Mahmood T
J Mol Graph Model; 2024 Jan; 126():108646. PubMed ID: 37816302
[TBL] [Abstract][Full Text] [Related]
43. Complexes of DNA bases and Watson-Crick base pairs interaction with neutral silver Ag
Srivastava R
J Biomol Struct Dyn; 2018 Mar; 36(4):1050-1062. PubMed ID: 28325114
[TBL] [Abstract][Full Text] [Related]
44. 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]
45. Molecular structure, second- and third-order nonlinear optical properties and DFT studies of a novel non-centrosymmetric chalcone derivative: (2E)-3-(4-fluorophenyl)-1-(4-{[(1E)-(4-fluorophenyl)methylene]amino}phenyl)prop-2-en-1-one.
Maidur SR; Patil PS; Ekbote A; Chia TS; Quah CK
Spectrochim Acta A Mol Biomol Spectrosc; 2017 Sep; 184():342-354. PubMed ID: 28528255
[TBL] [Abstract][Full Text] [Related]
46. First principles study for the key electronic, optical and nonlinear optical properties of novel donor-acceptor chalcones.
Muhammad S; Al-Sehemi AG; Su Z; Xu H; Irfan A; Chaudhry AR
J Mol Graph Model; 2017 Mar; 72():58-69. PubMed ID: 28064080
[TBL] [Abstract][Full Text] [Related]
47. The spectroscopic (FT-IR, UV-vis), Fukui function, NLO, NBO, NPA and tautomerism effect analysis of (E)-2-[(2-hydroxy-6-methoxybenzylidene)amino]benzonitrile.
Demircioğlu Z; Kaştaş ÇA; Büyükgüngör O
Spectrochim Acta A Mol Biomol Spectrosc; 2015 Mar; 139():539-48. PubMed ID: 25579656
[TBL] [Abstract][Full Text] [Related]
48. Structural and Electronic (Absorption and Fluorescence) Properties of a Stable Triplet Diphenylcarbene: A DFT Study.
Hassan AU; Mohyuddin A; Nadeem S; Güleryüz C; Hassan SU; Javed M; Muhsan MS
J Fluoresc; 2022 Sep; 32(5):1629-1638. PubMed ID: 35596854
[TBL] [Abstract][Full Text] [Related]
49. 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]
50. UV-visible absorption spectra of [Ru(E)(E')(CO)(2)(iPr-DAB)] (E = E' = SnPh(3) or Cl; E = SnPh(3) or Cl, E' = CH(3); iPr-DAB = N,N'-Di-isopropyl-1,4-diaza-1,3-butadiene): combination of CASSCF/CASPT2 and TD-DFT calculations.
Turki M; Daniel C; Zális S; Vlcek A; van Slageren J; Stufkens DJ
J Am Chem Soc; 2001 Nov; 123(46):11431-40. PubMed ID: 11707120
[TBL] [Abstract][Full Text] [Related]
51. DFT study of superhalogen and superalkali doped graphitic carbon nitride and its non-linear optical properties.
Khan AU; Khera RA; Anjum N; Shehzad RA; Iqbal S; Ayub K; Iqbal J
RSC Adv; 2021 Feb; 11(14):7779-7789. PubMed ID: 35423340
[TBL] [Abstract][Full Text] [Related]
52. Nonlinear optical behavior of Li n F (n = 2-5) superalkali clusters.
Srivastava AK; Misra N
J Mol Model; 2015 Dec; 21(12):305. PubMed ID: 26546265
[TBL] [Abstract][Full Text] [Related]
53. Growth pattern and electronic and magnetic properties of Cr-doped silver clusters.
Xu YS; Die D; Zheng BX
J Comput Chem; 2023 Nov; 44(29):2284-2293. PubMed ID: 37578012
[TBL] [Abstract][Full Text] [Related]
54. Computational investigations on acceptor substituent influence of metal-free efficient chromophores for optoelectronic properties.
Ammasi A; Munusamy AP; Shkir M
J Mol Model; 2022 Oct; 28(11):349. PubMed ID: 36214920
[TBL] [Abstract][Full Text] [Related]
55. Quantum-chemical (DFT, MP2) and spectroscopic studies (FT-IR and UV) of monomeric and dimeric structures of 2(3H)-Benzothiazolone.
Sinha L; Prasad O; Karabacak M; Mishra HN; Narayan V; Asiri AM
Spectrochim Acta A Mol Biomol Spectrosc; 2014; 120():126-36. PubMed ID: 24177879
[TBL] [Abstract][Full Text] [Related]
56. Rigid Coumarins: a Complete DFT, TD-DFT and Non Linear Optical Property Study.
Lanke SK; Sekar N
J Fluoresc; 2015 Sep; 25(5):1469-80. PubMed ID: 26266333
[TBL] [Abstract][Full Text] [Related]
57. DFT studies of single and multiple alkali metals doped C
Kosar N; Tahir H; Ayub K; Mahmood T
J Mol Graph Model; 2021 Jun; 105():107867. PubMed ID: 33725640
[TBL] [Abstract][Full Text] [Related]
58. Chiroptical, linear, and second-order nonlinear optical properties of binaphthol derivatives.
Yang G; Si Y; Su Z
Org Biomol Chem; 2012 Nov; 10(42):8418-25. PubMed ID: 23032517
[TBL] [Abstract][Full Text] [Related]
59. Second-order nonlinear optical properties of dithienophenazine and TTF derivatives: A butterfly effect of dimalononitrile substitutions.
Muhammad S
J Mol Graph Model; 2015 Jun; 59():14-20. PubMed ID: 25863481
[TBL] [Abstract][Full Text] [Related]
60. Influence of End-Capped Modifications in the Nonlinear Optical Amplitude of Nonfullerene-Based Chromophores with a D-π-A Architecture: A DFT/TDDFT Study.
Khalid M; Zafar M; Hussain S; Asghar MA; Khera RA; Imran M; Abookleesh FL; Akram MY; Ullah A
ACS Omega; 2022 Jul; 7(27):23532-23548. PubMed ID: 35847337
[TBL] [Abstract][Full Text] [Related]
[Previous] [Next] [New Search]