289 related articles for article (PubMed ID: 23727676)
1. Vibrational spectra, DFT quantum chemical calculations and conformational analysis of P-iodoanisole.
Arivazhagan M; Anitha Rexalin D; Geethapriya J
Spectrochim Acta A Mol Biomol Spectrosc; 2013 Sep; 113():236-49. PubMed ID: 23727676
[TBL] [Abstract][Full Text] [Related]
2. 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]
3. Quantum mechanical study of the structure and vibrational spectroscopic (FT-IR and FT-Raman), first-order hyperpolarizability, NBO and HOMO-LUMO studies of 4-bromo-3-nitroanisole.
Balachandran V; Karunakaran V
Spectrochim Acta A Mol Biomol Spectrosc; 2013 Apr; 106():284-98. PubMed ID: 23416886
[TBL] [Abstract][Full Text] [Related]
4. The spectroscopic (FT-IR, FT-Raman, UV and NMR) first order hyperpolarizability and HOMO-LUMO analysis of dansyl chloride.
Karabacak M; Cinar M; Kurt M; Poiyamozhi A; Sundaraganesan N
Spectrochim Acta A Mol Biomol Spectrosc; 2014 Jan; 117():234-44. PubMed ID: 23994679
[TBL] [Abstract][Full Text] [Related]
5. Molecular structure investigation and spectroscopic studies on 2,3-difluorophenylboronic acid: a combined experimental and theoretical analysis.
Karabacak M; Kose E; Atac A; Ali Cipiloglu M; Kurt M
Spectrochim Acta A Mol Biomol Spectrosc; 2012 Nov; 97():892-908. PubMed ID: 22902933
[TBL] [Abstract][Full Text] [Related]
6. Electronic absorption, vibrational spectra, nonlinear optical properties, NBO analysis and thermodynamic properties of N-(4-nitro-2-phenoxyphenyl) methanesulfonamide molecule by ab initio HF and density functional methods.
Rajamani T; Muthu S; Karabacak M
Spectrochim Acta A Mol Biomol Spectrosc; 2013 May; 108():186-96. PubMed ID: 23474478
[TBL] [Abstract][Full Text] [Related]
7. 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]
8. Vibrational spectroscopy investigation using ab initio and DFT vibrational analysis of 7-chloro-2-methylamino-5-phenyl-3H-1,4-benzodiazepine-4-oxide.
Prasath M; Muthu S; Arun Balaji R
Spectrochim Acta A Mol Biomol Spectrosc; 2013 Sep; 113():224-35. PubMed ID: 23732619
[TBL] [Abstract][Full Text] [Related]
9. Vibrational spectra, UV and NMR, first order hyperpolarizability and HOMO-LUMO analysis of 2-amino-4-chloro-6-methylpyrimidine.
Jayavarthanan T; Sundaraganesan N; Karabacak M; Cinar M; Kurt M
Spectrochim Acta A Mol Biomol Spectrosc; 2012 Nov; 97():811-24. PubMed ID: 22902579
[TBL] [Abstract][Full Text] [Related]
10. Thermal and magnetic properties and vibrational analysis of 4-(dimethylamino) pyridine: a quantum chemical approach.
Balachandran V; Rajeswari S; Lalitha S
Spectrochim Acta A Mol Biomol Spectrosc; 2014 Apr; 124():277-84. PubMed ID: 24500730
[TBL] [Abstract][Full Text] [Related]
11. FT-IR, FT-Raman, NMR studies and ab initio-HF, DFT-B3LYP vibrational analysis of 4-chloro-2-fluoroaniline.
Arivazhagan M; Anitha Rexalin D
Spectrochim Acta A Mol Biomol Spectrosc; 2012 Oct; 96():668-76. PubMed ID: 22885079
[TBL] [Abstract][Full Text] [Related]
12. 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]
13. 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]
14. FTIR and FT-Raman spectra, assignments, ab initio HF and DFT analysis of xanthine.
Arivazhagan M; Jeyavijayan S
Spectrochim Acta A Mol Biomol Spectrosc; 2011 Jun; 79(1):161-8. PubMed ID: 21450515
[TBL] [Abstract][Full Text] [Related]
15. 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]
16. 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]
17. Structural characteristics and harmonic vibrational analysis of the stable conformer of 2,3-epoxypropanol by quantum chemical methods.
Arjunan V; Rani T; Santhanam R; Mohan S
Spectrochim Acta A Mol Biomol Spectrosc; 2012 Oct; 96():24-34. PubMed ID: 22652541
[TBL] [Abstract][Full Text] [Related]
18. 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]
19. FT-IR, FT-Raman, UV spectra and DFT calculations on monomeric and dimeric structure of 2-amino-5-bromobenzoic acid.
Karabacak M; Cinar M
Spectrochim Acta A Mol Biomol Spectrosc; 2012 Feb; 86():590-9. PubMed ID: 22153741
[TBL] [Abstract][Full Text] [Related]
20. Infrared, Raman and NMR spectra, conformational stability and vibrational assignment of 7,8-Dihydroxy-4-Methylcoumarin.
Erdogdu Y; Saglam S
Spectrochim Acta A Mol Biomol Spectrosc; 2014 Nov; 132():871-8. PubMed ID: 24935826
[TBL] [Abstract][Full Text] [Related]
[Next] [New Search]