817 related articles for article (PubMed ID: 28528255)
1. 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]
2. Experimental and theoretical (FT-IR, FT-Raman, UV-vis, NMR) spectroscopic analysis and first order hyperpolarizability studies of non-linear optical material: (2E)-3-[4-(methylsulfanyl) phenyl]-1-(4-nitrophenyl) prop-2-en-1-one using density functional theory.
Kumar A; Deval V; Tandon P; Gupta A; Deepak D'silva E
Spectrochim Acta A Mol Biomol Spectrosc; 2014 Sep; 130():41-53. PubMed ID: 24762572
[TBL] [Abstract][Full Text] [Related]
3. Ultrafast Nonlinear Optical and Structure-Property Relationship Studies of Pyridine-Based Anthracene Chalcones Using
Maidur SR; Patil PS; Katturi NK; Soma VR; Ai Wong Q; Quah CK
J Phys Chem B; 2021 Apr; 125(15):3883-3898. PubMed ID: 33830758
[TBL] [Abstract][Full Text] [Related]
4. Synthesis, molecular conformation, vibrational and electronic transition, isometric chemical shift, polarizability and hyperpolarizability analysis of 3-(4-methoxy-phenyl)-2-(4-nitro-phenyl)-acrylonitrile: a combined experimental and theoretical analysis.
Asiri AM; Karabacak M; Kurt M; Alamry KA
Spectrochim Acta A Mol Biomol Spectrosc; 2011 Nov; 82(1):444-55. PubMed ID: 21856218
[TBL] [Abstract][Full Text] [Related]
5. Augmenting the effect of solvents on optical nonlinearity by spectroscopic, DFT, solvatochromism and z-scan studies of push-pull chalcone: (2E)-1-(4-ethoxyphenyl)-3-(4-methoxyphenyl)prop-2-en-1-one.
Mathew E; Hubert Joe I; Harshitha KR; Sarojini BK
Spectrochim Acta A Mol Biomol Spectrosc; 2024 Jun; 321():124698. PubMed ID: 38936213
[TBL] [Abstract][Full Text] [Related]
6. 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]
7. Molecular structure, FT-IR, first order hyperpolarizability, NBO analysis, HOMO and LUMO, MEP analysis of (E)-3-(4-chlorophenyl)-1-(4-fluorophenyl)prop-2-en-1-one by HF and density functional methods.
Najiya A; Panicker CY; Sapnakumari M; Narayana B; Sarojini BK; Van Alsenoy C
Spectrochim Acta A Mol Biomol Spectrosc; 2014 Dec; 133():526-33. PubMed ID: 24983921
[TBL] [Abstract][Full Text] [Related]
8. Spectroscopic studies (FTIR, FT-Raman and UV-Visible), normal coordinate analysis, NBO analysis, first order hyper polarizability, HOMO and LUMO analysis of (1R)-N-(Prop-2-yn-1-yl)-2,3-dihydro-1H-inden-1-amine molecule by ab initio HF and density functional methods.
Muthu S; Ramachandran G
Spectrochim Acta A Mol Biomol Spectrosc; 2014; 121():394-403. PubMed ID: 24280302
[TBL] [Abstract][Full Text] [Related]
9. Vibrational spectra, molecular structure, NBO, UV, NMR, first order hyperpolarizability, analysis of 4-Methoxy-4'-Nitrobiphenyl by density functional theory.
Govindarasu K; Kavitha E
Spectrochim Acta A Mol Biomol Spectrosc; 2014 Mar; 122():130-41. PubMed ID: 24299985
[TBL] [Abstract][Full Text] [Related]
10. Molecular structure, FT-IR, NBO, HOMO and LUMO, MEP and first order hyperpolarizability of (2E)-1-(2,4-Dichlorophenyl)-3-(3,4,5-trimethoxyphenyl)prop-2-en-1-one by HF and density functional methods.
Sheena Mary Y; Yohannan Panicker C; Anto PL; Sapnakumari M; Narayana B; Sarojini BK
Spectrochim Acta A Mol Biomol Spectrosc; 2015 Jan; 135():81-92. PubMed ID: 25062053
[TBL] [Abstract][Full Text] [Related]
11. FTIR, FT-RAMAN, NMR, spectra, normal co-ordinate analysis, NBO, NLO and DFT calculation of N,N-diethyl-4-methylpiperazine-1-carboxamide molecule.
Muthu S; Elamurugu Porchelvi E
Spectrochim Acta A Mol Biomol Spectrosc; 2013 Nov; 115():275-86. PubMed ID: 23845985
[TBL] [Abstract][Full Text] [Related]
12. FT-IR, UV-vis, 1H and 13C NMR spectra and the equilibrium structure of organic dye molecule disperse red 1 acrylate: a combined experimental and theoretical analysis.
Cinar M; Coruh A; Karabacak M
Spectrochim Acta A Mol Biomol Spectrosc; 2011 Dec; 83(1):561-9. PubMed ID: 21958518
[TBL] [Abstract][Full Text] [Related]
13. Synthesis, spectroscopic, single crystal diffraction and potential nonlinear optical properties of novel pyrazoline derivatives: Interplay of experimental and computational analyses.
Arshad MN; Birinji AS; Khalid M; Asiri AM; Al-Amry KA; Aqlan FMS; Braga AAC
Spectrochim Acta A Mol Biomol Spectrosc; 2018 Sep; 202():146-158. PubMed ID: 29778707
[TBL] [Abstract][Full Text] [Related]
14. Vibrational spectra, molecular structure, NBO, NMR, UV, first order hyperpolarizability, analysis of (S)-(-)-N-(5-Nitro-2-pyridyl) alaninol by Density functional theory.
Govindarasu K; Kavitha E
Spectrochim Acta A Mol Biomol Spectrosc; 2014 Jun; 127():498-510. PubMed ID: 24657932
[TBL] [Abstract][Full Text] [Related]
15. Combined experimental and theoretical studies on the X-ray crystal structure, FT-IR, 1H NMR, 13C NMR, UV-Vis spectra, NLO behavior and antimicrobial activity of 2-hydroxyacetophenone benzoylhydrazone.
Sheikhshoaie I; Ebrahimipour SY; Sheikhshoaie M; Rudbari HA; Khaleghi M; Bruno G
Spectrochim Acta A Mol Biomol Spectrosc; 2014 Apr; 124():548-55. PubMed ID: 24508893
[TBL] [Abstract][Full Text] [Related]
16. Synthesis, structural, spectroscopic studies, NBO analysis, NLO and HOMO-LUMO of 4-methyl-N-(3-nitrophenyl)benzene sulfonamide with experimental and theoretical approaches.
Sarojini K; Krishnan H; Kanakam CC; Muthu S
Spectrochim Acta A Mol Biomol Spectrosc; 2013 May; 108():159-70. PubMed ID: 23466326
[TBL] [Abstract][Full Text] [Related]
17. Growth, molecular structure, NBO analysis and vibrational spectral analysis of l-tartaric acid single crystal.
Sasikala V; Sajan D; Vijayan N; Chaitanya K; Babu Raj MS; Selin Joy BH
Spectrochim Acta A Mol Biomol Spectrosc; 2014 Apr; 123():127-41. PubMed ID: 24394529
[TBL] [Abstract][Full Text] [Related]
18. Molecular structure and vibrational and chemical shift assignments of 3'-chloro-4-dimethylamino azobenzene by DFT calculations.
Toy M; Tanak H
Spectrochim Acta A Mol Biomol Spectrosc; 2016 Jan; 152():530-6. PubMed ID: 25468435
[TBL] [Abstract][Full Text] [Related]
19. Structural, vibrational and theoretical studies of anilinium trichloroacetate: new hydrogen bonded molecular crystal with nonlinear optical properties.
Tanak H; Pawlus K; Marchewka MK; Pietraszko A
Spectrochim Acta A Mol Biomol Spectrosc; 2014 Jan; 118():82-93. PubMed ID: 24041532
[TBL] [Abstract][Full Text] [Related]
20. Electronic absorption, vibrational spectra, nonlinear optical properties, NBO analysis and thermodynamic properties of N-(4-nitro-2-phenoxyphenyl) methanesulfonamide molecule by ab initio HF and density functional methods.
Rajamani T; Muthu S; Karabacak M
Spectrochim Acta A Mol Biomol Spectrosc; 2013 May; 108():186-96. PubMed ID: 23474478
[TBL] [Abstract][Full Text] [Related]
[Next] [New Search]
