383 related articles for article (PubMed ID: 23305869)
21. Experimental and theoretical FTIR and FT-Raman spectroscopic analysis of 1-pyrenecarboxylic acid.
Karabacak M; Cinar M; Kurt M; Babu PC; Sundaraganesan N
Spectrochim Acta A Mol Biomol Spectrosc; 2013 Oct; 114():509-19. PubMed ID: 23792291
[TBL] [Abstract][Full Text] [Related]
22. FT-IR, FT-Raman, NMR and UV-vis spectra, vibrational assignments and DFT calculations of 4-butyl benzoic acid.
Karabacak M; Cinar Z; Kurt M; Sudha S; Sundaraganesan N
Spectrochim Acta A Mol Biomol Spectrosc; 2012 Jan; 85(1):179-89. PubMed ID: 22024454
[TBL] [Abstract][Full Text] [Related]
23. Structural, vibrational and nuclear magnetic resonance investigations of 4-bromoisoquinoline by experimental and theoretical DFT methods.
Arjunan V; Thillai Govindaraja S; Jayapraksh A; Mohan S
Spectrochim Acta A Mol Biomol Spectrosc; 2013 Apr; 107():62-71. PubMed ID: 23416910
[TBL] [Abstract][Full Text] [Related]
24. Spectroscopic properties, NLO, HOMO-LUMO and NBO of maltol.
Krishnakumar V; Barathi D; Mathammal R; Balamani J; Jayamani N
Spectrochim Acta A Mol Biomol Spectrosc; 2014; 121():245-53. PubMed ID: 24247097
[TBL] [Abstract][Full Text] [Related]
25. 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]
26. NMR, UV, FT-IR, FT-Raman spectra and molecular structure (monomeric and dimeric structures) investigation of nicotinic acid N-oxide: A combined experimental and theoretical study.
Atac A; Karabacak M; Karaca C; Kose E
Spectrochim Acta A Mol Biomol Spectrosc; 2012 Jan; 85(1):145-54. PubMed ID: 22001008
[TBL] [Abstract][Full Text] [Related]
27. Density functional theory, comparative vibrational spectroscopic studies, HOMO-LUMO, first hyperpolarizability analyses of 2-fluoro 5-nitrotoluene and 2-bromo 5-nitrotoluene.
Krishnakumar V; Sangeetha R; Mathammal R; Barathi D
Spectrochim Acta A Mol Biomol Spectrosc; 2013 Mar; 104():77-86. PubMed ID: 23266679
[TBL] [Abstract][Full Text] [Related]
28. Vibrational spectra, monomer, dimer, NBO, HOMO, LUMO and NMR analyses of trans-4-hydroxy-L-proline.
Xavier RJ; Dinesh P
Spectrochim Acta A Mol Biomol Spectrosc; 2014 Jul; 128():54-68. PubMed ID: 24657468
[TBL] [Abstract][Full Text] [Related]
29. Experimental and theoretical quantum chemical investigations of 8-hydroxy-5-nitroquinoline.
Arjunan V; Balamourougane PS; Kalaivani M; Raj A; Mohan S
Spectrochim Acta A Mol Biomol Spectrosc; 2012 Oct; 96():506-16. PubMed ID: 22728969
[TBL] [Abstract][Full Text] [Related]
30. Quantum mechanical study of the structure and spectroscopic (FT-IR, FT-Raman), first-order hyperpolarizability, NBO and HOMO-LUMO analysis of S-S-2 methylamino-1-phenyl propan-1-ol.
Ramachandran G; Muthu S; Renuga S
Spectrochim Acta A Mol Biomol Spectrosc; 2013 Apr; 107():386-98. PubMed ID: 23485937
[TBL] [Abstract][Full Text] [Related]
31. Study on molecular structure, spectroscopic investigation (IR, Raman and NMR), vibrational assignments and HOMO-LUMO analysis of L-sodium folinate using DFT: a combined experimental and quantum chemical approach.
Li L; Cai T; Wang Z; Zhou Z; Geng Y; Sun T
Spectrochim Acta A Mol Biomol Spectrosc; 2014; 120():106-18. PubMed ID: 24177877
[TBL] [Abstract][Full Text] [Related]
32. Quantum mechanical and spectroscopic (FT-IR, 13C, 1H NMR and UV) investigations of potent antiepileptic drug 1-(4-chloro-phenyl)-3-phenyl-succinimide.
Vitnik VD; Vitnik ŽJ; Banjac NR; Valentić NV; Ušćumlić GS; Juranić IO
Spectrochim Acta A Mol Biomol Spectrosc; 2014 Jan; 117():42-53. PubMed ID: 23981413
[TBL] [Abstract][Full Text] [Related]
33. Molecular structure, vibrational spectra, HOMO, LUMO and NMR studies of 2-chloro-4-nitrotoluene and 4-chloro-2-nitrotoluene.
Krishnakumar V; Murugeswari K; Prabavathi N; Mathammal R
Spectrochim Acta A Mol Biomol Spectrosc; 2012 Jun; 91():1-10. PubMed ID: 22343112
[TBL] [Abstract][Full Text] [Related]
34. Molecular structure, vibrational spectra and (13)C and (1)H NMR spectral analysis of 1-methylnaphthalene by ab initio HF and DFT methods.
Shailajha S; Rajesh Kannan U; Sheik Abdul Kadhar SP; Isac Paulraj E
Spectrochim Acta A Mol Biomol Spectrosc; 2014 Dec; 133():720-9. PubMed ID: 24996214
[TBL] [Abstract][Full Text] [Related]
35. 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]
36. Molecular structure, spectroscopic studies (FTIR, FT-Raman and NMR) and HOMO-LUMO analysis of 6-chloro-o-cresol and 4-chloro-3-methyl phenol by density functional theoretical study.
Krishnakumar V; Kumar M; Prabavathi N; Mathammal R
Spectrochim Acta A Mol Biomol Spectrosc; 2012 Nov; 97():144-54. PubMed ID: 22750683
[TBL] [Abstract][Full Text] [Related]
37. 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]
38. Spectroscopic (FT-IR, FT-Raman) investigations and quantum chemical calculations of 4-hydroxy-2-oxo-1,2-dihydroquinoline-7-carboxylic acid.
Ulahannan RT; Panicker CY; Varghese HT; Van Alsenoy C; Musiol R; Jampilek J; Anto PL
Spectrochim Acta A Mol Biomol Spectrosc; 2014; 121():404-14. PubMed ID: 24287049
[TBL] [Abstract][Full Text] [Related]
39. The spectroscopic (FT-IR, FT-Raman, UV) and first order hyperpolarizability, HOMO and LUMO analysis of 3-aminobenzophenone by density functional method.
Karabacak M; Kurt M; Cinar M; Ayyappan S; Sudha S; Sundaraganesan N
Spectrochim Acta A Mol Biomol Spectrosc; 2012 Jun; 92():365-76. PubMed ID: 22446786
[TBL] [Abstract][Full Text] [Related]
40. Vibrational spectroscopic (FT-IR and FT-Raman) studies, natural bond orbital analysis and molecular electrostatic potential surface of Isoxanthopterin.
Prabavathi N; Nilufer A; Krishnakumar V
Spectrochim Acta A Mol Biomol Spectrosc; 2013 Oct; 114():101-13. PubMed ID: 23751224
[TBL] [Abstract][Full Text] [Related]
[Previous] [Next] [New Search]