331 related articles for article (PubMed ID: 20297843)
1. Density functional theory calculations of the molecular force field of L-ascorbic acid, vitamin C.
Bichara LC; Lanús HE; Nieto CG; Brandán SA
J Phys Chem A; 2010 Apr; 114(14):4997-5004. PubMed ID: 20297843
[TBL] [Abstract][Full Text] [Related]
2. Structural analysis, vibrational spectra and coordinated normal of 2R-(-)-6-hydroxytremetone.
Romano E; Raschi AB; Benavente A; Brandán SA
Spectrochim Acta A Mol Biomol Spectrosc; 2011 Dec; 84(1):111-6. PubMed ID: 21964240
[TBL] [Abstract][Full Text] [Related]
3. Structural study, coordinated normal analysis and vibrational spectra of 4-hydroxy-3-(3-methyl-2-butenyl)acetophenone.
Lizárraga E; Romano E; Rudyk RA; Catalán CA; Brandán SA
Spectrochim Acta A Mol Biomol Spectrosc; 2012 Nov; 97():202-8. PubMed ID: 22763324
[TBL] [Abstract][Full Text] [Related]
4. Vibrational study of tolazoline hydrochloride by using FTIR-Raman and DFT calculations.
Contreras CD; Ledesma AE; Zinczuk J; Brandán SA
Spectrochim Acta A Mol Biomol Spectrosc; 2011 Sep; 79(5):1710-4. PubMed ID: 21664861
[TBL] [Abstract][Full Text] [Related]
5. DFT calculation of the chromyl nitrate, CrO2(NO3)2 The molecular force field.
Brandán SA; Roldán ML; Socolsky C; Ben Altabef A
Spectrochim Acta A Mol Biomol Spectrosc; 2008 Mar; 69(3):1027-43. PubMed ID: 17669684
[TBL] [Abstract][Full Text] [Related]
6. A complete assignment of the vibrational spectra of 2-furoic acid based on the structures of the more stable monomer and dimer.
Ghalla H; Issaoui N; Castillo MV; Brandán SA; Flakus HT
Spectrochim Acta A Mol Biomol Spectrosc; 2014; 121():623-31. PubMed ID: 24291575
[TBL] [Abstract][Full Text] [Related]
7. Experimental and theoretical vibrational investigation on the saccharinate ion in aqueous solution.
Brizuela A; Romano E; Yurquina A; Locatelli S; Brandán SA
Spectrochim Acta A Mol Biomol Spectrosc; 2012 Sep; 95():399-406. PubMed ID: 22571944
[TBL] [Abstract][Full Text] [Related]
8. A complete characterization of the vibrational spectra of sucrose.
Brizuela AB; Bichara LC; Romano E; Yurquina A; Locatelli S; Brandán SA
Carbohydr Res; 2012 Nov; 361():212-8. PubMed ID: 22878022
[TBL] [Abstract][Full Text] [Related]
9. Theoretical and experimental vibrational spectrum study of 4-hydroxybenzoic acid as monomer and dimer.
Brandán SA; Márquez López F; Montejo M; López González JJ; Ben Altabef A
Spectrochim Acta A Mol Biomol Spectrosc; 2010 May; 75(5):1422-34. PubMed ID: 20223703
[TBL] [Abstract][Full Text] [Related]
10. Analysis of vibrational spectra of L-alanylglycine based on density functional theory calculations.
Padmaja L; Ravikumar C; James C; Jayakumar VS; Hubert Joe I
Spectrochim Acta A Mol Biomol Spectrosc; 2008 Nov; 71(1):252-62. PubMed ID: 18243781
[TBL] [Abstract][Full Text] [Related]
11. An experimental and theoretical study of L-Tryptophan in an aqueous solution, combining two-layered ONIOM and SCRF calculations.
Leyton P; Brunet J; Silva V; Paipa C; Castillo MV; Brandán SA
Spectrochim Acta A Mol Biomol Spectrosc; 2012 Mar; 88():162-70. PubMed ID: 22226676
[TBL] [Abstract][Full Text] [Related]
12. A complete assignment of the vibrational spectra of sucrose in aqueous medium based on the SQM methodology and SCRF calculations.
Brizuela AB; Castillo MV; Raschi AB; Davies L; Romano E; Brandán SA
Carbohydr Res; 2014 Mar; 388():112-24. PubMed ID: 24632216
[TBL] [Abstract][Full Text] [Related]
13. Anharmonic vibrational analysis of 3,4-diaminopyridine and 3-aminopyridine by density functional theory calculations.
Karpagam J; Sundaraganesan N; Kalaichelvan S; Sebastian S
Spectrochim Acta A Mol Biomol Spectrosc; 2010 Sep; 76(5):502-12. PubMed ID: 20483656
[TBL] [Abstract][Full Text] [Related]
14. Vibrational and structural study of onopordopicrin based on the FTIR spectrum and DFT calculations.
Chain FE; Romano E; Leyton P; Paipa C; Catalán CA; Fortuna M; Brandán SA
Spectrochim Acta A Mol Biomol Spectrosc; 2015; 150():381-9. PubMed ID: 26057092
[TBL] [Abstract][Full Text] [Related]
15. A complete vibrational study on a potential environmental toxicant agent, the 3,3',4,4'-tetrachloroazobenzene combining the FTIR, FTRaman, UV-Visible and NMR spectroscopies with DFT calculations.
Castillo MV; Pergomet JL; Carnavale GA; Davies L; Zinczuk J; Brandán SA
Spectrochim Acta A Mol Biomol Spectrosc; 2015 Jan; 134():577-86. PubMed ID: 25106816
[TBL] [Abstract][Full Text] [Related]
16. Density functional theory study of the Fourier transform infrared and Raman spectra of Cu(II) bis-acetylacetone.
Raissi H; Nowroozi A; Farzad F; Bojd MS
Spectrochim Acta A Mol Biomol Spectrosc; 2005 Nov; 62(1-3):343-52. PubMed ID: 16257735
[TBL] [Abstract][Full Text] [Related]
17. Conformational and vibrational analysis of methyl methanesulfonate, CH3SO2OCH3.
Tuttolomondo ME; Navarro A; Peña T; Varetti EL; Parker SF; Ben Altabef A
J Phys Chem A; 2009 Jul; 113(29):8401-8. PubMed ID: 19569677
[TBL] [Abstract][Full Text] [Related]
18. Structural and vibrational study of the tautomerism of histamine free-base in solution.
Ramírez FJ; Tuñón I; Collado JA; Silla E
J Am Chem Soc; 2003 Feb; 125(8):2328-40. PubMed ID: 12590563
[TBL] [Abstract][Full Text] [Related]
19. Quantum chemical and spectroscopic investigations of 5-aminoquinoline.
Arjunan V; Mohan S; Balamourougane PS; Ravindran P
Spectrochim Acta A Mol Biomol Spectrosc; 2009 Dec; 74(5):1215-23. PubMed ID: 19854675
[TBL] [Abstract][Full Text] [Related]
20. DFT simulations and vibrational analysis of FT-IR and FT-Raman spectra of 2,4-diamino-6-hydroxypyrimidine.
Subramanian MK; Anbarasan PM; Manimegalai S
Spectrochim Acta A Mol Biomol Spectrosc; 2009 Aug; 73(4):642-9. PubMed ID: 19406685
[TBL] [Abstract][Full Text] [Related]
[Next] [New Search]
