250 related articles for article (PubMed ID: 34169166)
1. Experimental and theoretical spectroscopic (FT-IR, FT-Raman, UV-VIS) analysis, natural bonding orbitals and molecular docking studies on 2-bromo-6-methoxynaphthalene: A potential anti-cancer drug.
Saji RS; Prasana JC; Muthu S; George J
Heliyon; 2021 Jun; 7(6):e07213. PubMed ID: 34169166
[TBL] [Abstract][Full Text] [Related]
2. Quantum mechanical, spectroscopic and docking studies of 2-Amino-3-bromo-5-nitropyridine by Density Functional Method.
Abraham CS; Prasana JC; Muthu S
Spectrochim Acta A Mol Biomol Spectrosc; 2017 Jun; 181():153-163. PubMed ID: 28359904
[TBL] [Abstract][Full Text] [Related]
3. Conformational stability, spectroscopic (FT-IR, FT-Raman and UV-Vis) analysis, NLO, NBO, FMO and Fukui function analysis of 4-hexylacetophenone by density functional theory.
Saravanan S; Balachandran V
Spectrochim Acta A Mol Biomol Spectrosc; 2015 Mar; 138():406-23. PubMed ID: 25528503
[TBL] [Abstract][Full Text] [Related]
4. Quantum mechanical study and spectroscopic (FT-IR, FT-Raman, UV-Visible) study, potential energy surface scan, Fukui function analysis and HOMO-LUMO analysis of 3-tert-butyl-4-methoxyphenol by DFT methods.
Saravanan S; Balachandran V
Spectrochim Acta A Mol Biomol Spectrosc; 2014 Sep; 130():604-20. PubMed ID: 24813291
[TBL] [Abstract][Full Text] [Related]
5. Investigations on 2-(4-Cyanophenylamino) acetic acid by FT-IR,FT-Raman, NMR and UV-Vis spectroscopy, DFT (NBO, HOMO-LUMO, MEP and Fukui function) and molecular docking studies.
Rahuman MH; Muthu S; Raajaraman BR; Raja M; Umamahesvari H
Heliyon; 2020 Sep; 6(9):e04976. PubMed ID: 33005793
[TBL] [Abstract][Full Text] [Related]
6. PES, molecular structure, spectroscopic (FT-IR, FT-Raman), electronic (UV-Vis, HOMO-LUMO), quantum chemical and biological (docking) studies on a potent membrane permeable inhibitor: dibenzoxepine derivative.
Sevvanthi S; Muthu S; Raja M; Aayisha S; Janani S
Heliyon; 2020 Aug; 6(8):e04724. PubMed ID: 32885075
[TBL] [Abstract][Full Text] [Related]
7. Quantum mechanical and spectroscopic (FT-IR, FT-Raman) study, NBO analysis, HOMO-LUMO, first order hyperpolarizability and molecular docking study of methyl[(3R)-3-(2-methylphenoxy)-3-phenylpropyl]amine by density functional method.
Kuruvilla TK; Prasana JC; Muthu S; George J; Mathew SA
Spectrochim Acta A Mol Biomol Spectrosc; 2018 Jan; 188():382-393. PubMed ID: 28756257
[TBL] [Abstract][Full Text] [Related]
8. The spectroscopic (FT-IR, FT-Raman, dispersive Raman and NMR) study of ethyl-6-chloronicotinate molecule by combined density functional theory.
Karabacak M; Calisir Z; Kurt M; Kose E; Atac A
Spectrochim Acta A Mol Biomol Spectrosc; 2016 Jan; 153():754-70. PubMed ID: 26483317
[TBL] [Abstract][Full Text] [Related]
9. Vibrational, spectroscopic, chemical reactivity, molecular docking and in vitro anticancer activity studies against A549 lung cancer cell lines of 5-Bromo-indole-3-carboxaldehyde.
S CJ; A MFB; K K
J Mol Recognit; 2021 Mar; 34(3):e2873. PubMed ID: 33006415
[TBL] [Abstract][Full Text] [Related]
10. Rotational isomers, spectroscopic (FT-IR, FT-Raman) studies and quantum chemical calculations on 2,4,6-tris(dimethylaminomethyl) phenol.
Karthick T; Balachandran V; Perumal S; Lakshmi A
Spectrochim Acta A Mol Biomol Spectrosc; 2013 Sep; 113():52-66. PubMed ID: 23714184
[TBL] [Abstract][Full Text] [Related]
11. 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]
12. FT-IR, FT-Raman and UV spectroscopic investigation, electronic properties, electric moments, and NBO analysis of anethole using quantum chemical calculations.
Sinha L; Prasad O; Chand S; Sachan AK; Pathak SK; Shukla VK; Karabacak M; Asiri AM
Spectrochim Acta A Mol Biomol Spectrosc; 2014 Dec; 133():165-77. PubMed ID: 24934975
[TBL] [Abstract][Full Text] [Related]
13. 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]
14. A combined experimental and theoretical studies on FT-IR, FT-Raman and UV-vis spectra of 2-chloro-3-quinolinecarboxaldehyde.
Prasad MV; Udaya Sri N; Veeraiah V
Spectrochim Acta A Mol Biomol Spectrosc; 2015 Sep; 148():163-74. PubMed ID: 25879986
[TBL] [Abstract][Full Text] [Related]
15. Vibrational spectroscopic study and NBO analysis on tranexamic acid using DFT method.
Muthu S; Prabhakaran A
Spectrochim Acta A Mol Biomol Spectrosc; 2014 Aug; 129():184-92. PubMed ID: 24747330
[TBL] [Abstract][Full Text] [Related]
16. 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]
17. Molecular structure and vibrational spectroscopic studies on 2-furanacetic acid monomer and dimer.
Ghalla H; Govindarajan M; Flakus HT; Issaoui N; Yaghmour SJ; Oujia B
Spectrochim Acta A Mol Biomol Spectrosc; 2015 Feb; 136 Pt B():579-93. PubMed ID: 25448958
[TBL] [Abstract][Full Text] [Related]
18. Experimental (FT-IR and FT-Raman), electronic structure and DFT studies on 1-methoxynaphthalene.
Govindarajan M; Ganasan K; Periandy S; Karabacak M
Spectrochim Acta A Mol Biomol Spectrosc; 2011 Aug; 79(3):646-53. PubMed ID: 21530378
[TBL] [Abstract][Full Text] [Related]
19. 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]
20. The spectroscopic (FT-IR, FT-Raman, (l3)C, (1)H NMR and UV) and NBO analyses of 4-bromo-1-(ethoxycarbonyl)piperidine-4-carboxylic acid.
Vitnik VD; Vitnik ŽJ
Spectrochim Acta A Mol Biomol Spectrosc; 2015 Mar; 138():1-12. PubMed ID: 25434858
[TBL] [Abstract][Full Text] [Related]
[Next] [New Search]
