739 related articles for article (PubMed ID: 21840753)
1. FT-IR and FT-Raman, UV spectroscopic investigation of 1-bromo-3-fluorobenzene using DFT (B3LYP, B3PW91 and MPW91PW91) calculations.
Mahadevan D; Periandy S; Karabacak M; Ramalingam S
Spectrochim Acta A Mol Biomol Spectrosc; 2011 Nov; 82(1):481-92. PubMed ID: 21840753
[TBL] [Abstract][Full Text] [Related]
2. Vibrational spectroscopy (FT-IR and FT-Raman) investigation, and hybrid computational (HF and DFT) analysis on the structure of 2,3-naphthalenediol.
Shoba D; Periandy S; Karabacak M; Ramalingam S
Spectrochim Acta A Mol Biomol Spectrosc; 2011 Dec; 83(1):540-52. PubMed ID: 21943712
[TBL] [Abstract][Full Text] [Related]
3. Experimental (FT-IR, FT-Raman) and theoretical (HF and DFT) investigation and HOMO and LUMO analysis on the structure of p-fluoronitrobenzene.
Udayakumar V; Periandy S; Karabacak M; Ramalingam S
Spectrochim Acta A Mol Biomol Spectrosc; 2011 Dec; 83(1):575-86. PubMed ID: 21955946
[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. Spectroscopic analysis (FT-IR/FT-Raman) and molecular structure investigation on m-fluoronitrobenzene using hybrid computational calculations.
Ramalingam S; Karabacak M; Periandy S; Puviarasan N
Spectrochim Acta A Mol Biomol Spectrosc; 2012 Aug; 94():318-30. PubMed ID: 22534557
[TBL] [Abstract][Full Text] [Related]
6. 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]
7. FTIR and FTRaman spectroscopic investigation of 2-bromo-4-methylaniline using ab initio HF and DFT calculations.
Ramalingam S; Periandy S; Narayanan B; Mohan S
Spectrochim Acta A Mol Biomol Spectrosc; 2010 Jun; 76(1):84-92. PubMed ID: 20335064
[TBL] [Abstract][Full Text] [Related]
8. Spectroscopic (FT-IR, FT-Raman and UV-vis) investigation and frontier molecular orbitals analysis on 3-methyl-2-nitrophenol using hybrid computational calculations.
Mahadevan D; Periandy S; Karabacak M; Ramalingam S; Puviarasan N
Spectrochim Acta A Mol Biomol Spectrosc; 2012 Feb; 86():139-51. PubMed ID: 22074882
[TBL] [Abstract][Full Text] [Related]
9. FT-IR and FT-Raman investigation, computed vibrational intensity analysis and computed vibrational frequency analysis on m-Xylol using ab-initio HF and DFT calculations.
Prabhu T; Periandy S; Ramalingam S
Spectrochim Acta A Mol Biomol Spectrosc; 2011 Sep; 79(5):948-55. PubMed ID: 21550300
[TBL] [Abstract][Full Text] [Related]
10. 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]
11. FT-IR, FT-Raman, ab initio and DFT structural, vibrational frequency and HOMO-LUMO analysis of 1-naphthaleneacetic acid methyl ester.
Nagabalasubramanian PB; Karabacak M; Periandy S
Spectrochim Acta A Mol Biomol Spectrosc; 2011 Nov; 82(1):169-80. PubMed ID: 21820351
[TBL] [Abstract][Full Text] [Related]
12. Vibrational investigation on FT-IR and FT-Raman spectra, IR intensity, Raman activity, peak resemblance, ideal estimation, standard deviation of computed frequencies analyses and electronic structure on 3-methyl-1,2-butadiene using HF and DFT (LSDA/B3LYP/B3PW91) calculations.
Ramalingam S; Jayaprakash A; Mohan S; Karabacak M
Spectrochim Acta A Mol Biomol Spectrosc; 2011 Nov; 82(1):79-90. PubMed ID: 21813316
[TBL] [Abstract][Full Text] [Related]
13. FT-IR and FT-Raman spectra and vibrational investigation of 4-chloro-2-fluoro toluene using ab initio HF and DFT (B3LYP/B3PW91) calculations.
Ramalingam S; Periandy S; Elanchezhian B; Mohan S
Spectrochim Acta A Mol Biomol Spectrosc; 2011 Jan; 78(1):429-36. PubMed ID: 21146451
[TBL] [Abstract][Full Text] [Related]
14. Vibrational spectroscopy (FTIR and FTRaman) investigation using ab initio (HF) and DFT (B3LYP) calculations on the structure of 3-Bromo phenol.
Mahadevan D; Periandy S; Ramalingam S
Spectrochim Acta A Mol Biomol Spectrosc; 2011 Feb; 78(2):575-81. PubMed ID: 21185772
[TBL] [Abstract][Full Text] [Related]
15. 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]
16. Vibrational spectroscopy (FTIR and FTRaman) investigation using ab initio (HF) and DFT (B3LYP and B3PW91) analysis on the structure of 2-amino pyridine.
Ramalingam S; Periandy S; Mohan S
Spectrochim Acta A Mol Biomol Spectrosc; 2010 Sep; 77(1):73-81. PubMed ID: 20627807
[TBL] [Abstract][Full Text] [Related]
17. FT-IR, FT-Raman and UV spectral investigation: computed frequency estimation analysis and electronic structure calculations on chlorobenzene using HF and DFT.
Govindarajan M; Karabacak M; Udayakumar V; Periandy S
Spectrochim Acta A Mol Biomol Spectrosc; 2012 Mar; 88():37-48. PubMed ID: 22197345
[TBL] [Abstract][Full Text] [Related]
18. FT-IR and FT-Raman spectra, thermo dynamical behavior, HOMO and LUMO, UV, NLO properties, computed frequency estimation analysis and electronic structure calculations on α-bromotoluene.
Govindarajan M; Periandy S; Carthigayen K
Spectrochim Acta A Mol Biomol Spectrosc; 2012 Nov; 97():411-22. PubMed ID: 22820044
[TBL] [Abstract][Full Text] [Related]
19. Structural and spectroscopic characterization of 2,3-difluorobenzoic acid and 2,4-difluorobenzoic acid with experimental techniques and quantum chemical calculations.
Karabacak M; Cinar Z; Cinar M
Spectrochim Acta A Mol Biomol Spectrosc; 2011 Sep; 79(5):1511-9. PubMed ID: 21646044
[TBL] [Abstract][Full Text] [Related]
20. Molecular structure, spectroscopic characterization (FT-IR, FT-Raman, UV and NMR), HOMO and LUMO analysis of 3-ethynylthiophene with DFT quantum chemical calculations.
Karabacak M; Bilgili S; Mavis T; Eskici M; Atac A
Spectrochim Acta A Mol Biomol Spectrosc; 2013 Nov; 115():709-18. PubMed ID: 23886506
[TBL] [Abstract][Full Text] [Related]
[Next] [New Search]
