190 related articles for article (PubMed ID: 16524765)
1. The molecular, electronic structures and vibrational spectra of metal-free, N,N'-dideuterio and magnesium tetra-2,3-pyridino-porphyrazines: Density functional calculations.
Liu Z; Zhang X; Zhang Y; Li R; Jiang J
Spectrochim Acta A Mol Biomol Spectrosc; 2006 Oct; 65(2):467-80. PubMed ID: 16524765
[TBL] [Abstract][Full Text] [Related]
2. Infrared spectra of metal-free, N',N-dideuterio, and magnesium porphyrins: density functional calculations.
Zhang X; Zhang Y; Jiang J
Spectrochim Acta A Mol Biomol Spectrosc; 2005 Sep; 61(11-12):2576-83. PubMed ID: 16043050
[TBL] [Abstract][Full Text] [Related]
3. Theoretical investigation of the molecular, electronic structures and vibrational spectra of a series of first transition metal phthalocyanines.
Liu Z; Zhang X; Zhang Y; Jiang J
Spectrochim Acta A Mol Biomol Spectrosc; 2007 Aug; 67(5):1232-46. PubMed ID: 17116418
[TBL] [Abstract][Full Text] [Related]
4. FT-IR and Raman spectra, ab initio and density functional computations of the vibrational spectra, molecular geometries and atomic charges of uracil and 5-halogenated uracils (5-X-uracils; X=F, Cl, Br, I).
Singh JS
Spectrochim Acta A Mol Biomol Spectrosc; 2014 Jan; 117():502-18. PubMed ID: 24036044
[TBL] [Abstract][Full Text] [Related]
5. 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]
6. Molecular structure, vibrational analysis (FT-IR, FT-Raman), NMR, UV, NBO and HOMO-LUMO analysis of N,N-Diphenyl Formamide based on DFT calculations.
Mathammal R; Monisha NR; Yasaswini S; Krishnakumar V
Spectrochim Acta A Mol Biomol Spectrosc; 2015 Mar; 139():521-32. PubMed ID: 25579654
[TBL] [Abstract][Full Text] [Related]
7. Structure and vibrations of glutathione studied by vibrational spectroscopy and density functional theory.
Singh G; Dogra SD; Kaur S; Tripathi SK; Prakash S; Rai B; Saini GS
Spectrochim Acta A Mol Biomol Spectrosc; 2015; 149():505-15. PubMed ID: 25978018
[TBL] [Abstract][Full Text] [Related]
8. FT-Raman and FT-IR spectra, vibrational assignments and density functional studies of 5-bromo-2-nitropyridine.
Sundaraganesan N; Ilakiamani S; Saleem H; Wojciechowski PM; Michalska D
Spectrochim Acta A Mol Biomol Spectrosc; 2005 Oct; 61(13-14):2995-3001. PubMed ID: 16165042
[TBL] [Abstract][Full Text] [Related]
9. The spectroscopic (FT-IR, FT-Raman, dispersive Raman and NMR) study of ethyl-6-chloronicotinate molecule by combined density functional theory.
Karabacak M; Calisir Z; Kurt M; Kose E; Atac A
Spectrochim Acta A Mol Biomol Spectrosc; 2016 Jan; 153():754-70. PubMed ID: 26483317
[TBL] [Abstract][Full Text] [Related]
10. FTIR, FT-RAMAN, NMR, spectra, normal co-ordinate analysis, NBO, NLO and DFT calculation of N,N-diethyl-4-methylpiperazine-1-carboxamide molecule.
Muthu S; Elamurugu Porchelvi E
Spectrochim Acta A Mol Biomol Spectrosc; 2013 Nov; 115():275-86. PubMed ID: 23845985
[TBL] [Abstract][Full Text] [Related]
11. Analysis of vibrational spectra of 4-amino-2,6-dichloropyridine and 2-chloro-3,5-dinitropyridine based on density functional theory calculations.
Krishnakumar V; Dheivamalar S; Xavier RJ; Balachandran V
Spectrochim Acta A Mol Biomol Spectrosc; 2006 Sep; 65(1):147-54. PubMed ID: 16330246
[TBL] [Abstract][Full Text] [Related]
12. Density functional theory studies on vibrational and electronic spectra of 2-chloro-6-methoxypyridine.
Arjunan V; Isaac AS; Rani T; Mythili CV; Mohan S
Spectrochim Acta A Mol Biomol Spectrosc; 2011 May; 78(5):1625-32. PubMed ID: 21382743
[TBL] [Abstract][Full Text] [Related]
13. FT-IR and Raman spectra, ab initio and density functional computations of the vibrational spectra, molecular geometries and atomic charges of uracil and 5-methyluracil (thymine).
Singh JS
Spectrochim Acta A Mol Biomol Spectrosc; 2015 Feb; 137():625-40. PubMed ID: 25244296
[TBL] [Abstract][Full Text] [Related]
14. Experimental and DFT studies on the vibrational and electronic spectra and NBO analysis of 2-amino-3-((E)-(9-p-tolyl-9H-carbazol-3-yl) methyleneamino) maleonitrile.
Meng N; Zhang Y; Wang Y; Ma K; Zhao J; Tang G
Spectrochim Acta A Mol Biomol Spectrosc; 2014; 121():494-507. PubMed ID: 24291425
[TBL] [Abstract][Full Text] [Related]
15. FT-IR, FT-Raman spectra and quantum chemical calculations of 3,4-dimethoxyaniline.
Sundaraganesan N; Priya M; Meganathan C; Joshua BD; Cornard JP
Spectrochim Acta A Mol Biomol Spectrosc; 2008 Jun; 70(1):50-9. PubMed ID: 17765601
[TBL] [Abstract][Full Text] [Related]
16. FT-IR, FT-Raman and UV-Vis spectra and DFT calculations of 3-cyano-4-methylcoumarin.
Udaya Sri N; Chaitanya K; Prasad MV; Veeraiah V; Veeraiah A
Spectrochim Acta A Mol Biomol Spectrosc; 2012 Nov; 97():728-36. PubMed ID: 22892370
[TBL] [Abstract][Full Text] [Related]
17. Spectroscopic (FTIR, FT-Raman, UV and NMR) investigation and NLO, HOMO-LUMO, NBO analysis of 2-Benzylpyridine based on quantum chemical calculations.
Mathammal R; Sudha N; Guru Prasad L; Ganga N; Krishnakumar V
Spectrochim Acta A Mol Biomol Spectrosc; 2015 Feb; 137():740-8. PubMed ID: 25262142
[TBL] [Abstract][Full Text] [Related]
18. Vibrational spectra and assignments of 2-amino-5-iodopyridine by ab initio Hartree-Fock and density functional methods.
Sundaraganesan N; Meganathan C; Anand B; Joshua BD; Lapouge C
Spectrochim Acta A Mol Biomol Spectrosc; 2007 Jul; 67(3-4):830-6. PubMed ID: 17018261
[TBL] [Abstract][Full Text] [Related]
19. FT-IR, FT-Raman, UV-visible, and NMR spectroscopy and vibrational properties of the labdane-type diterpene 13-epi-sclareol.
Chain FE; Leyton P; Paipa C; Fortuna M; Brandán SA
Spectrochim Acta A Mol Biomol Spectrosc; 2015 Mar; 138():303-13. PubMed ID: 25498827
[TBL] [Abstract][Full Text] [Related]
20. A combined experimental and theoretical study on vibrational spectra of 2-acetylpyridine.
Zhai C; Cui F; Liu X
Spectrochim Acta A Mol Biomol Spectrosc; 2015 Jan; 134():90-5. PubMed ID: 25004900
[TBL] [Abstract][Full Text] [Related]
[Next] [New Search]