149 related articles for article (PubMed ID: 24637275)
21. Vibrational spectra of 3,5-diamino-6-chloro-N-(diaminomethylene) pyrazine-2-carboxamide: combined experimental and theoretical studies.
Sakthivel S; Alagesan T; Al-Saadi AA; Renuga S; Muthu S
Spectrochim Acta A Mol Biomol Spectrosc; 2014 Jun; 127():157-67. PubMed ID: 24632230
[TBL] [Abstract][Full Text] [Related]
22. Vibrational spectroscopy (FT-IR and Laser-Raman) investigation, and computational (M06-2X and B3LYP) analysis on the structure of 4-(3-fluorophenyl)-1-(propan-2-ylidene)-thiosemicarbazone.
Sert Y; Miroslaw B; Çırak Ç; Doğan H; Szulczyk D; Struga M
Spectrochim Acta A Mol Biomol Spectrosc; 2014 Jul; 128():91-9. PubMed ID: 24662757
[TBL] [Abstract][Full Text] [Related]
23. Use of vibrational spectroscopy to study 4-benzyl-3-(thiophen-2-yl)-4,5-dihydro-1H-1,2,4-triazole-5-thione: A combined theoretical and experimental approach.
Sert Y; El-Emam AA; Al-Abdullah ES; Al-Tamimi AM; Cırak C; Ucun F
Spectrochim Acta A Mol Biomol Spectrosc; 2014 May; 126():280-90. PubMed ID: 24608012
[TBL] [Abstract][Full Text] [Related]
24. Vibrational assignment, HOMO-LUMO and NBO analysis of (2S)-2-[(2-{[(2S)-1-hydroxybutan-2-yl]amino}ethyl)amino]butan-1-ol by density functional theory.
Rajalakshmi K; Gunasekaran S; Kumaresan S
Spectrochim Acta A Mol Biomol Spectrosc; 2014 Sep; 130():466-79. PubMed ID: 24813275
[TBL] [Abstract][Full Text] [Related]
25. DFT, FT-Raman and FT-IR investigations of 5-o-tolyl-2-pentene.
Parlak C; Bilge M; Kalaycı T; Bardakçı B
Spectrochim Acta A Mol Biomol Spectrosc; 2011 Sep; 79(5):1077-83. PubMed ID: 21555236
[TBL] [Abstract][Full Text] [Related]
26. Vibrational and electronic spectra of 5-Acetyluracil - an experimental and theoretical study.
Veeraiah A; Chaitanya K; Veeraiah V; Prasad MV; Udaya Sri N
Spectrochim Acta A Mol Biomol Spectrosc; 2012 Sep; 95():648-57. PubMed ID: 22579332
[TBL] [Abstract][Full Text] [Related]
27. Synthesis, molecular structure, FT-IR, Raman, XRD and theoretical investigations of (2E)-1-(5-chlorothiophen-2-yl)-3-(naphthalen-2-yl)prop-2-en-1-one.
Chidan Kumar CS; Fun HK; Parlak C; Rhyman L; Ramasami P; Tursun M; Chandraju S; Quah CK
Spectrochim Acta A Mol Biomol Spectrosc; 2014 Nov; 132():174-82. PubMed ID: 24858359
[TBL] [Abstract][Full Text] [Related]
28. FT-IR, FT-Raman and DFT quantum chemical study on the molecular conformation, vibrational and electronic transitions of 1-(m-(trifluoromethyl)phenyl)piperazine.
Prabavathi N; Nilufer A; Krishnakumar V
Spectrochim Acta A Mol Biomol Spectrosc; 2014; 121():483-93. PubMed ID: 24291424
[TBL] [Abstract][Full Text] [Related]
29. 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]
30. Revised vibrational band assignments for the experimental IR and Raman spectra of 2,3,4-trifluorobenzonitrile based on ab initio, DFT and normal coordinate calculations.
Hiremath CS; Kalkoti GB; Aralakkanavar MK
Spectrochim Acta A Mol Biomol Spectrosc; 2009 Sep; 74(1):200-4. PubMed ID: 19560961
[TBL] [Abstract][Full Text] [Related]
31. 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]
32. Density functional theory calculation and vibrational spectroscopy study of 2-amino-4,6-dimethyl pyrimidine (ADMP).
Thilagavathi G; Arivazhagan M
Spectrochim Acta A Mol Biomol Spectrosc; 2011 Aug; 79(3):389-95. PubMed ID: 21524934
[TBL] [Abstract][Full Text] [Related]
33. 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]
34. Experimental (FT-IR, NMR and UV) and theoretical (M06-2X and DFT) investigation, and frequency estimation analyses on (E)-3-(4-bromo-5-methylthiophen-2-yl)acrylonitrile.
Sert Y; Balakit AA; Öztürk N; Ucun F; El-Hiti GA
Spectrochim Acta A Mol Biomol Spectrosc; 2014 Oct; 131():502-11. PubMed ID: 24840492
[TBL] [Abstract][Full Text] [Related]
35. Spectroscopic studies (FTIR, FT-Raman and UV-Visible), normal coordinate analysis, NBO analysis, first order hyper polarizability, HOMO and LUMO analysis of (1R)-N-(Prop-2-yn-1-yl)-2,3-dihydro-1H-inden-1-amine molecule by ab initio HF and density functional methods.
Muthu S; Ramachandran G
Spectrochim Acta A Mol Biomol Spectrosc; 2014; 121():394-403. PubMed ID: 24280302
[TBL] [Abstract][Full Text] [Related]
36. DFT studies, vibrational spectra and conformational stability of 4-hydroxy-3-methylacetophenone and 4-hydroxy-3-methoxyacetophenone.
Krishnakumar V; Balachandran V
Spectrochim Acta A Mol Biomol Spectrosc; 2005 Sep; 61(11-12):2510-25. PubMed ID: 16043043
[TBL] [Abstract][Full Text] [Related]
37. Theoretical investigation of the structure and vibrational spectra of carbamoyl azide.
Umar Y
Spectrochim Acta A Mol Biomol Spectrosc; 2006 Jun; 64(3):568-73. PubMed ID: 16387539
[TBL] [Abstract][Full Text] [Related]
38. Quantum chemical vibrational study, molecular property, FTIR, FT-Raman spectra, NBO, HOMO-LUMO energies and thermodynamic properties of 1-methyl-2-phenyl benzimidazole.
Karnan M; Balachandran V; Murugan M; Murali MK
Spectrochim Acta A Mol Biomol Spectrosc; 2014 Sep; 130():143-51. PubMed ID: 24785089
[TBL] [Abstract][Full Text] [Related]
39. Molecular structure and vibrational spectra of 3-and 4-amino-2-bromopyridine by density functional methods.
Kandasamy M; Velraj G
Spectrochim Acta A Mol Biomol Spectrosc; 2012 Jun; 91():206-16. PubMed ID: 22381792
[TBL] [Abstract][Full Text] [Related]
40. 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]
[Previous] [Next] [New Search]
