331 related articles for article (PubMed ID: 20297843)
21. 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]
22. 1,2-Dibromoethyl-trichlorosilane (CH2BrCHBrSiCl3): conformational structure and vibrational properties by gas-phase electron diffraction, infrared and Raman spectroscopy, and ab initio molecular orbital and density functional theory calculations.
Johansen TH; Hassler K; Richardson AD; Tekautz G; Hagen K
Spectrochim Acta A Mol Biomol Spectrosc; 2005 May; 61(7):1307-19. PubMed ID: 15820864
[TBL] [Abstract][Full Text] [Related]
23. 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]
24. Structures and vibrational frequencies of 2-naphthoic acid and 6-bromo-2-naphthoic acid based on density functional theory calculations.
Krishnakumar V; Mathammal R; Muthunatesan S
Spectrochim Acta A Mol Biomol Spectrosc; 2008 Jun; 70(1):201-9. PubMed ID: 17822949
[TBL] [Abstract][Full Text] [Related]
25. FT-IR, FT-Raman spectra and quantum chemical calculations of some chloro substituted phenoxy acetic acids.
Sundaraganesan N; Meganathan C; Karthikeyan B
Spectrochim Acta A Mol Biomol Spectrosc; 2008 Jul; 70(2):430-8. PubMed ID: 18282793
[TBL] [Abstract][Full Text] [Related]
26. An ab initio and DFT study of structure and vibrational spectra of gamma form of oleic acid: comparison to experimental data.
Mishra S; Chaturvedi D; Kumar N; Tandon P; Siesler HW
Chem Phys Lipids; 2010 Feb; 163(2):207-17. PubMed ID: 19941842
[TBL] [Abstract][Full Text] [Related]
27. Density functional theory calculations of the internal rotations and vibrational spectra of 2-, 3- and 4-formyl pyridine.
Umar Y
Spectrochim Acta A Mol Biomol Spectrosc; 2009 Jan; 71(5):1907-13. PubMed ID: 18799348
[TBL] [Abstract][Full Text] [Related]
28. Experimental and theoretical study of the hydration of phosphate groups in esters of biological interest.
Brandán SA; Díaz SB; López González JJ; Disalvo EA; Ben Altabef A
Spectrochim Acta A Mol Biomol Spectrosc; 2007 Apr; 66(4-5):884-97. PubMed ID: 16843704
[TBL] [Abstract][Full Text] [Related]
29. Combined experimental studies and theoretical calculations to yield the complete molecular structure and vibrational spectra of (CH3)3GeH.
Roldán ML; Brandán SA; Masters Née Hinchley SL; Wann DA; Robertson HE; Rankin DW; Altabef AB
J Phys Chem A; 2009 Apr; 113(17):5195-204. PubMed ID: 19298067
[TBL] [Abstract][Full Text] [Related]
30. An experimental and theoretical study of molecular structure and vibrational spectra of 3- and 4-pyridineboronic acid molecules by density functional theory calculations.
Kurt M; Sertbakan TR; Ozduran M
Spectrochim Acta A Mol Biomol Spectrosc; 2008 Aug; 70(3):664-73. PubMed ID: 17933583
[TBL] [Abstract][Full Text] [Related]
31. Investigation of the structural and harmonic vibrational properties of 2-nitro-, 4-nitro- and 5-nitro-m-xylene by ab initio and density functional theory.
Arjunan V; Balamourougane PS; Saravanan I; Mohan S
Spectrochim Acta A Mol Biomol Spectrosc; 2009 Oct; 74(3):798-807. PubMed ID: 19716338
[TBL] [Abstract][Full Text] [Related]
32. Vibrational spectra and natural bond orbital analysis of the herbicidal molecule 2(4-chlorophenoxy)-2-methyl propionic acid.
Monicka JC; James C
Spectrochim Acta A Mol Biomol Spectrosc; 2011 Feb; 78(2):718-25. PubMed ID: 21185226
[TBL] [Abstract][Full Text] [Related]
33. Analysis of vibrational spectra of 1-chloro-2,4-dinitrobenzene based on density functional theory calculations.
Krishnakumar V; Prabavathi N
Spectrochim Acta A Mol Biomol Spectrosc; 2009 May; 72(4):738-42. PubMed ID: 19124269
[TBL] [Abstract][Full Text] [Related]
34. Quantum chemical treatment of beta-sitosterol molecule.
Kurban S; Erkoç F; Erkoç S
Pharm Biol; 2010 Jun; 48(6):637-42. PubMed ID: 20645736
[TBL] [Abstract][Full Text] [Related]
35. DFT computations and spectroscopic analysis of a pesticide: chlorothalonil.
Dhas DA; Joe IH; Roy SD; Freeda TH
Spectrochim Acta A Mol Biomol Spectrosc; 2010 Sep; 77(1):36-44. PubMed ID: 20537938
[TBL] [Abstract][Full Text] [Related]
36. FT-IR, NIR-FT-Raman and gas phase infrared spectra of 3-aminoacetophenone by density functional theory and ab initio Hartree-Fock calculations.
Subramanian MK; Anbarasan PM; Ilangovan V; Babu SM
Spectrochim Acta A Mol Biomol Spectrosc; 2008 Nov; 71(1):59-67. PubMed ID: 18178129
[TBL] [Abstract][Full Text] [Related]
37. 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]
38. Quantum chemical computational studies on 5-(4-bromophenylamino)-2-methylsulfanylmethyl-2H-1,2,3-triazol-4-carboxylic acid ethyl ester.
Tokatlı A; Ozen E; Ucun F; Bahçeli S
Spectrochim Acta A Mol Biomol Spectrosc; 2011 Mar; 78(3):1201-11. PubMed ID: 21247796
[TBL] [Abstract][Full Text] [Related]
39. Spectroscopic and DFT studies of flurbiprofen as dimer and its Cu(II) and Hg(II) complexes.
Sagdinc S; Pir H
Spectrochim Acta A Mol Biomol Spectrosc; 2009 Jul; 73(1):181-94. PubMed ID: 19285917
[TBL] [Abstract][Full Text] [Related]
40. Theoretical and vibrational studies of 4,5-diphenyl-2-2 oxazole propionic acid (oxaprozin).
Sagdinc SG; Esme A
Spectrochim Acta A Mol Biomol Spectrosc; 2010 Apr; 75(4):1370-6. PubMed ID: 20167532
[TBL] [Abstract][Full Text] [Related]
[Previous] [Next] [New Search]