884 related articles for article (PubMed ID: 21216183)
1. Spectroscopic investigation, computed IR intensity, Raman activity and vibrational frequency analysis on 3-bromoanisole using HF and DFT (LSDA/MPW1PW91) calculations.
Ramalingam S; Periandy S
Spectrochim Acta A Mol Biomol Spectrosc; 2011 Feb; 78(2):835-43. PubMed ID: 21216183
[TBL] [Abstract][Full Text] [Related]
2. FT-IR and FT-Raman spectral investigation, computed IR intensity and Raman activity analysis and frequency estimation analysis on 4-chloro-2-bromoacetophenone using HF and DFT calculations.
Ramalingam S; Anbusrinivasan P; Periandy S
Spectrochim Acta A Mol Biomol Spectrosc; 2011 Feb; 78(2):826-34. PubMed ID: 21216662
[TBL] [Abstract][Full Text] [Related]
3. FT-IR and FT-Raman vibrational spectra and molecular structure investigation of nicotinamide: A combined experimental and theoretical study.
Ramalingam S; Periandy S; Govindarajan M; Mohan S
Spectrochim Acta A Mol Biomol Spectrosc; 2010 May; 75(5):1552-8. PubMed ID: 20227335
[TBL] [Abstract][Full Text] [Related]
4. FT-IR, FT-Raman vibrational spectra and molecular structure investigation of 2-chloro-4-methylaniline: a combined experimental and theoretical study.
Karabacak M; Karagöz D; Kurt M
Spectrochim Acta A Mol Biomol Spectrosc; 2009 Jun; 72(5):1076-83. PubMed ID: 19213598
[TBL] [Abstract][Full Text] [Related]
5. Molecular structure and vibrational investigation of benzenesulfonic acid methyl ester using DFT (LSDA, B3LYP, B3PW91 and MPW1PW91) theory calculations.
Babu PD; Periandy S; Mohan S; Ramalingam S; Jayaprakash BG
Spectrochim Acta A Mol Biomol Spectrosc; 2011 Jan; 78(1):168-78. PubMed ID: 20943432
[TBL] [Abstract][Full Text] [Related]
6. 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]
7. Molecular structure and vibrational analysis of 3-Ethylpyridine using ab initio HF and density functional theory (B3LYP) calculations.
Shakila G; Periandy S; Ramalingam S
Spectrochim Acta A Mol Biomol Spectrosc; 2011 Feb; 78(2):732-9. PubMed ID: 21183400
[TBL] [Abstract][Full Text] [Related]
8. Vibrational spectroscopic (FTIR and FTRaman) investigation using ab initio (HF) and DFT (LSDA and B3LYP) analysis on the structure of Toluic acid.
Babu PD; Periandy S; Ramalingam S
Spectrochim Acta A Mol Biomol Spectrosc; 2011 Apr; 78(4):1321-8. PubMed ID: 21273116
[TBL] [Abstract][Full Text] [Related]
9. Vibrational spectroscopy [FTIR and FTRaman] investigation, computed vibrational frequency analysis and IR intensity and Raman activity peak resemblance analysis on 4-chloro 2-methylaniline using HF and DFT [LSDA, B3LYP and B3PW91] calculations.
Ramalingam S; Periandy S
Spectrochim Acta A Mol Biomol Spectrosc; 2011 Mar; 78(3):1149-61. PubMed ID: 21237700
[TBL] [Abstract][Full Text] [Related]
10. Vibrational spectroscopic investigation (FT-IR and FT-Raman) on 1,2-dibromobenzene by HF and hybrid (LSDA and B3LYP) calculations.
Shakila G; Periandy S; Ramalingam S
Spectrochim Acta A Mol Biomol Spectrosc; 2012 Feb; 86():449-55. PubMed ID: 22112581
[TBL] [Abstract][Full Text] [Related]
11. Ab initio HF and DFT simulations, FT-IR and FT-Raman vibrational analysis of alpha-chlorotoluene.
Nagabalasubramanian PB; Periandy S; Mohan S
Spectrochim Acta A Mol Biomol Spectrosc; 2010 Sep; 77(1):150-9. PubMed ID: 20537941
[TBL] [Abstract][Full Text] [Related]
12. 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]
13. Spectroscopic (FTIR and FT Raman) analysis and vibrational study on 2,3-dimethyl naphthalene using ab-initio HF and DFT calculations.
Prabhu T; Periandy S; Mohan S
Spectrochim Acta A Mol Biomol Spectrosc; 2011 Feb; 78(2):566-74. PubMed ID: 21185771
[TBL] [Abstract][Full Text] [Related]
14. 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]
15. FT-IR, FT-Raman spectra and ab initio HF, DFT vibrational analysis of p-chlorobenzoic acid.
Sundaraganesan N; Anand B; Meganathan C; Joshua BD
Spectrochim Acta A Mol Biomol Spectrosc; 2008 Mar; 69(3):871-9. PubMed ID: 17658292
[TBL] [Abstract][Full Text] [Related]
16. Simulation of IR and Raman spectra of p-hydroxyanisole and p-nitroanisole based on scaled DFT force fields and their vibrational assignments.
Krishnakumar V; Prabavathi N
Spectrochim Acta A Mol Biomol Spectrosc; 2009 Sep; 74(1):154-61. PubMed ID: 19523872
[TBL] [Abstract][Full Text] [Related]
17. 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]
18. Experimental (FT-IR and FT-Raman) and theoretical (HF and DFT) investigation, IR intensity, Raman activity and frequency estimation analyses on 1-bromo-4-chlorobenzene.
Udayakumar V; Periandy S; Ramalingam S
Spectrochim Acta A Mol Biomol Spectrosc; 2011 Sep; 79(5):920-7. PubMed ID: 21550298
[TBL] [Abstract][Full Text] [Related]
19. FT-IR and FT-Raman spectroscopic investigation, computed vibrational frequency analysis and IR intensity and Raman activity peak resemblance analysis on 2-nitroanisole using HF and DFT (B3LYP and B3PW91) calculations.
Prabhu T; Periandy S; Ramalingam S
Spectrochim Acta A Mol Biomol Spectrosc; 2011 Dec; 83(1):8-16. PubMed ID: 21963192
[TBL] [Abstract][Full Text] [Related]
20. FT-IR and FT-Raman, vibrational assignments, molecular geometry, ab initio (HF) and DFT (B3LYP) calculations for 1,3-dichlorobenzene.
Mahadevan D; Periandy S; Ramalingam S
Spectrochim Acta A Mol Biomol Spectrosc; 2011 Sep; 79(5):962-9. PubMed ID: 21561799
[TBL] [Abstract][Full Text] [Related]
[Next] [New Search]
