981 related articles for article (PubMed ID: 19124271)
1. Spectroscopic analysis and DFT calculations of a food additive carmoisine.
Snehalatha M; Ravikumar C; Hubert Joe I; Sekar N; Jayakumar VS
Spectrochim Acta A Mol Biomol Spectrosc; 2009 Apr; 72(3):654-62. PubMed ID: 19124271
[TBL] [Abstract][Full Text] [Related]
2. Quantum mechanical study of the structure and spectroscopic (FT-IR, FT-Raman, 13C, 1H and UV), first order hyperpolarizabilities, NBO and TD-DFT analysis of the 4-methyl-2-cyanobiphenyl.
Sebastian S; Sundaraganesan N; Karthikeiyan B; Srinivasan V
Spectrochim Acta A Mol Biomol Spectrosc; 2011 Feb; 78(2):590-600. PubMed ID: 21195659
[TBL] [Abstract][Full Text] [Related]
3. Molecular structure, vibrational spectroscopic (FT-IR, FT-Raman), UV and NBO analysis of 2-chlorobenzonitrile by density functional method.
Krishnan AR; Saleem H; Subashchandrabose S; Sundaraganesan N; Sebastain S
Spectrochim Acta A Mol Biomol Spectrosc; 2011 Feb; 78(2):582-9. PubMed ID: 21190895
[TBL] [Abstract][Full Text] [Related]
4. Quantum mechanical and spectroscopic (FT-IR, FT-Raman, 13C, 1H and UV) investigations of antiepileptic drug Ethosuximide.
Chamundeeswari SP; Samuel EJ; Sundaraganesan N
Spectrochim Acta A Mol Biomol Spectrosc; 2011 Dec; 83(1):478-89. PubMed ID: 21943716
[TBL] [Abstract][Full Text] [Related]
5. The spectroscopic (FT-IR, FT-IR gas phase, FT-Raman and UV) and NBO analysis of 4-Hydroxypiperidine by density functional method.
Sebastian S; Sundaraganesan N
Spectrochim Acta A Mol Biomol Spectrosc; 2010 Mar; 75(3):941-52. PubMed ID: 20056479
[TBL] [Abstract][Full Text] [Related]
6. Conformational stability, the spectroscopic (FT-IR and UV), first order hyperpolarizability, NBO analysis, HOMO and LUMO analysis of 6,8-diphenylimidazo[1,2-α]pyrazine molecule by ab initio HF and density functional methods.
Sıdır İ; Sıdır YG; Kayagil İ
Spectrochim Acta A Mol Biomol Spectrosc; 2011 Oct; 81(1):339-52. PubMed ID: 21782498
[TBL] [Abstract][Full Text] [Related]
7. Molecular structure, vibrational spectra and DFT molecular orbital calculations (TD-DFT and NMR) of the antiproliferative drug Methotrexate.
Ayyappan S; Sundaraganesan N; Aroulmoji V; Murano E; Sebastian S
Spectrochim Acta A Mol Biomol Spectrosc; 2010 Sep; 77(1):264-75. PubMed ID: 20621610
[TBL] [Abstract][Full Text] [Related]
8. DFT computations and spectroscopic analysis of a pesticide: chlorothalonil.
Dhas DA; Joe IH; Roy SD; Freeda TH
Spectrochim Acta A Mol Biomol Spectrosc; 2010 Sep; 77(1):36-44. PubMed ID: 20537938
[TBL] [Abstract][Full Text] [Related]
9. FT-Raman, FT-IR and UV-visible spectral investigations and ab initio computations of anti-epileptic drug: vigabatrin.
Edwin B; Joe IH
Spectrochim Acta A Mol Biomol Spectrosc; 2013 Oct; 114():633-41. PubMed ID: 23811150
[TBL] [Abstract][Full Text] [Related]
10. Vibrational spectroscopic study and NBO analysis on bis(4-amino-5-mercapto-1,2,4-triazol-3-yl) methane using DFT method.
Subashchandrabose S; Krishnan AR; Saleem H; Parameswari R; Sundaraganesan N; Thanikachalam V; Manikandan G
Spectrochim Acta A Mol Biomol Spectrosc; 2010 Nov; 77(4):877-84. PubMed ID: 20832355
[TBL] [Abstract][Full Text] [Related]
11. Anharmonic vibrational analysis of 3,4-diaminopyridine and 3-aminopyridine by density functional theory calculations.
Karpagam J; Sundaraganesan N; Kalaichelvan S; Sebastian S
Spectrochim Acta A Mol Biomol Spectrosc; 2010 Sep; 76(5):502-12. PubMed ID: 20483656
[TBL] [Abstract][Full Text] [Related]
12. Analysis of vibrational spectra of L-alanylglycine based on density functional theory calculations.
Padmaja L; Ravikumar C; James C; Jayakumar VS; Hubert Joe I
Spectrochim Acta A Mol Biomol Spectrosc; 2008 Nov; 71(1):252-62. PubMed ID: 18243781
[TBL] [Abstract][Full Text] [Related]
13. Vibrational spectra and ab initio molecular orbital calculations of the novel anti-cancer drug combretastatin A-4 prodrug.
James C; Pettit GR; Nielsen OF; Jayakumar VS; Joe IH
Spectrochim Acta A Mol Biomol Spectrosc; 2008 Oct; 70(5):1208-16. PubMed ID: 18248845
[TBL] [Abstract][Full Text] [Related]
14. Vibrational spectral investigation and Natural Bond Orbital analysis of anti-rheumatoid drug ethyl 4-nitrophenylacetate--DFT approach.
Suresh DM; Amalanathan M; Sebastian S; Sajan D; Hubert Joe I; Bena Jothy V
Spectrochim Acta A Mol Biomol Spectrosc; 2012 Dec; 98():413-22. PubMed ID: 22999708
[TBL] [Abstract][Full Text] [Related]
15. Vibrational spectra (FT-IR and FT-Raman), molecular structure, natural bond orbital, and TD-DFT analysis of L-Asparagine Monohydrate by Density Functional Theory approach.
Sylvestre S; Sebastian S; Edwin S; Amalanathan M; Ayyapan S; Jayavarthanan T; Oudayakumar K; Solomon S
Spectrochim Acta A Mol Biomol Spectrosc; 2014 Dec; 133():190-200. PubMed ID: 24945859
[TBL] [Abstract][Full Text] [Related]
16. Vibrational spectroscopic (FT-IR and FT-Raman), first-order hyperpolarizablity, HOMO, LUMO, NBO, Mulliken charges and structure determination of 2-bromo-4-chlorotoluene.
Arunagiri C; Arivazhagan M; Subashini A
Spectrochim Acta A Mol Biomol Spectrosc; 2011 Sep; 79(5):1747-56. PubMed ID: 21680229
[TBL] [Abstract][Full Text] [Related]
17. The spectroscopic (FT-IR, FT-Raman), NCA, first order hyperpolarizability, NBO analysis, HOMO and LUMO analysis of L-cysteine by ab inito HF and density functional method.
Chandra S; Saleem H; Sebastian S; Sundaraganesan N
Spectrochim Acta A Mol Biomol Spectrosc; 2011 May; 78(5):1515-24. PubMed ID: 21377921
[TBL] [Abstract][Full Text] [Related]
18. Molecular structure, spectroscopic studies and first-order molecular hyperpolarizabilities of ferulic acid by density functional study.
Sebastian S; Sundaraganesan N; Manoharan S
Spectrochim Acta A Mol Biomol Spectrosc; 2009 Oct; 74(2):312-23. PubMed ID: 19581124
[TBL] [Abstract][Full Text] [Related]
19. Vibrational spectra, molecular structure, natural bond orbital, first order hyperpolarizability, TD-DFT and thermodynamic analysis of 4-amino-3-hydroxy-1-naphthalenesulfonic acid by DFT approach.
Sebastian S; Sylvestre S; Sundaraganesan N; Amalanathan M; Ayyapan S; Oudayakumar K; Karthikeyan B
Spectrochim Acta A Mol Biomol Spectrosc; 2013 Apr; 107():167-78. PubMed ID: 23416921
[TBL] [Abstract][Full Text] [Related]
20. Vibrational and electronic absorption spectral studies of 5-amino-1-(4-bromophenyl)-3-phenyl-1-H-pyrazole.
Prasad MV; Chaitanya K; Udaya Sri N; Veeraiah V
Spectrochim Acta A Mol Biomol Spectrosc; 2012 Dec; 99():379-89. PubMed ID: 23022613
[TBL] [Abstract][Full Text] [Related]
[Next] [New Search]
