291 related articles for article (PubMed ID: 30890106)
1. Synthesis, FT-IR and NMR characterization, antimicrobial activity, cytotoxicity and DNA docking analysis of a new anthraquinone derivate compound.
Celik S; Ozkok F; Ozel AE; Müge Sahin Y; Akyuz S; Sigirci BD; Kahraman BB; Darici H; Karaoz E
J Biomol Struct Dyn; 2020 Feb; 38(3):756-770. PubMed ID: 30890106
[TBL] [Abstract][Full Text] [Related]
2. Synthesis, molecular modelling, FT-IR, Raman and NMR characterization, molecular docking and ADMET study of new nickel(II) complex with an N
Eğlence-Bakır S; Celik S; Şahin M; Ozel AE; Akyuz S; Ülküseven B
J Biomol Struct Dyn; 2021 Aug; 39(12):4212-4224. PubMed ID: 32462981
[TBL] [Abstract][Full Text] [Related]
3. Structural and biological study of synthesized anthraquinone series of compounds with sulfonamide feature.
Awasthi P; Vatsal M; Sharma A
J Biomol Struct Dyn; 2019 Oct; 37(17):4465-4480. PubMed ID: 30489230
[TBL] [Abstract][Full Text] [Related]
4. 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]
5. Molecular structure, vibrational analysis (FT-IR, FT-Raman), NMR, UV, NBO and HOMO-LUMO analysis of N,N-Diphenyl Formamide based on DFT calculations.
Mathammal R; Monisha NR; Yasaswini S; Krishnakumar V
Spectrochim Acta A Mol Biomol Spectrosc; 2015 Mar; 139():521-32. PubMed ID: 25579654
[TBL] [Abstract][Full Text] [Related]
6. 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]
7. 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]
8. Molecular conformational analysis, vibrational spectra, NBO, NLO analysis and molecular docking study of bis[(E)-anthranyl-9-acrylic]anhydride based on density functional theory calculations.
Mary YS; Panicker CY; Thiemann T; Al-Azani M; Al-Saadi AA; Van Alsenoy C; Raju K; War JA; Srivastava SK
Spectrochim Acta A Mol Biomol Spectrosc; 2015; 151():350-9. PubMed ID: 26143327
[TBL] [Abstract][Full Text] [Related]
9. Antimycobacterial, antimicrobial activity, experimental (FT-IR, FT-Raman, NMR, UV-Vis, DSC) and DFT (transition state, chemical reactivity, NBO, NLO) studies on pyrrole-isonicotinyl hydrazine.
Rawat P; Singh RN; Ranjan A; Ahmad S; Saxena R
Spectrochim Acta A Mol Biomol Spectrosc; 2017 May; 179():1-10. PubMed ID: 28213139
[TBL] [Abstract][Full Text] [Related]
10. Quantum chemical computations, vibrational spectroscopic analysis and antimicrobial studies of 2,3-Pyrazinedicarboxylic acid.
Beaula TJ; Packiavathi A; Manimaran D; Joe IH; Rastogi VK; Jothy VB
Spectrochim Acta A Mol Biomol Spectrosc; 2015 Mar; 138():723-35. PubMed ID: 25544188
[TBL] [Abstract][Full Text] [Related]
11. Conformational analysis, spectroscopic study (FT-IR, FT-Raman, UV, 1H and 13C NMR), molecular orbital energy and NLO properties of 5-iodosalicylic acid.
Karaca C; Atac A; Karabacak M
Spectrochim Acta A Mol Biomol Spectrosc; 2015 Feb; 136 Pt B():295-305. PubMed ID: 25448933
[TBL] [Abstract][Full Text] [Related]
12. Density functional theory (DFT) and natural bond orbital (NBO) study of vibrational spectra and intramolecular hydrogen bond interaction of L-ornithine-L-aspartate.
Li L; Wu C; Wang Z; Zhao L; Li Z; Sun C; Sun T
Spectrochim Acta A Mol Biomol Spectrosc; 2015 Feb; 136 Pt B():338-46. PubMed ID: 25448937
[TBL] [Abstract][Full Text] [Related]
13. Spectroscopic (infrared, Raman, UV and NMR) analysis, Gaussian hybrid computational investigation (MEP maps/HOMO and LUMO) on cyclohexanone oxime.
Ramalingam S; Karabacak M; Periandy S; Puviarasan N; Tanuja D
Spectrochim Acta A Mol Biomol Spectrosc; 2012 Oct; 96():207-20. PubMed ID: 22683556
[TBL] [Abstract][Full Text] [Related]
14. Spectroscopic (FT-IR/FT-Raman) and computational (HF/DFT) investigation and HOMO/LUMO/MEP analysis on 2-amino-4-chlorophenol.
Ramalingam S; Periandy S; Karabacak M; Karthikeyan N
Spectrochim Acta A Mol Biomol Spectrosc; 2013 Mar; 104():337-51. PubMed ID: 23274261
[TBL] [Abstract][Full Text] [Related]
15. Molecular modelling and vibrational investigations of ammonium-based ionic liquid (CLTOAB).
Celik S; Albayrak AT; Akyuz S; E Ozel A
J Biomol Struct Dyn; 2019 Jul; 37(10):2515-2526. PubMed ID: 30052130
[TBL] [Abstract][Full Text] [Related]
16. Vibrational analysis using FT-IR, FT-Raman spectra and HF-DFT methods and NBO, NLO, NMR, HOMO-LUMO, UV and electronic transitions studies on 2,2,4-trimethyl pentane.
Suvitha A; Periandy S; Govindarajan M; Gayathri P
Spectrochim Acta A Mol Biomol Spectrosc; 2015 Mar; 138():900-12. PubMed ID: 25459692
[TBL] [Abstract][Full Text] [Related]
17. Insilico molecular modeling, docking and spectroscopic [FT-IR/FT-Raman/UV/NMR] analysis of Chlorfenson using computational calculations.
Ramalingam S; Periandy S; Sugunakala S; Prabhu T; Bououdina M
Spectrochim Acta A Mol Biomol Spectrosc; 2013 Nov; 115():118-35. PubMed ID: 23832220
[TBL] [Abstract][Full Text] [Related]
18. The new Schiff base 4-[(4-Hydroxy-3-fluoro-5-methoxy-benzylidene)amino]-1,5-dimethyl-2-phenyl-1,2-dihydro-pyrazol-3-one: experimental, DFT calculational studies and in vitro antimicrobial activity.
İskeleli NO; Alpaslan YB; Direkel Ş; Ertürk AG; Süleymanoğlu N; Ustabaş R
Spectrochim Acta A Mol Biomol Spectrosc; 2015 Mar; 139():356-66. PubMed ID: 25574656
[TBL] [Abstract][Full Text] [Related]
19. Structural, spectroscopic,
Bicak B; Kecel Gunduz S; Budama Kilinc Y; Imhof P; Gok B; Akman G; Ozel AE
J Biomol Struct Dyn; 2022; 40(22):12148-12164. PubMed ID: 34463215
[TBL] [Abstract][Full Text] [Related]
20. Vibrational spectroscopic studies, NLO, HOMO-LUMO and electronic structure calculations of α,α,α-trichlorotoluene using HF and DFT.
Govindarajan M; Karabacak M; Periandy S; Xavier S
Spectrochim Acta A Mol Biomol Spectrosc; 2012 Aug; 94():53-64. PubMed ID: 22516115
[TBL] [Abstract][Full Text] [Related]
[Next] [New Search]