138 related articles for article (PubMed ID: 22706098)
1. Bis (trifluoromethyl) sulfone, CF3SO2CF3: synthesis, vibrational and conformational properties.
Defonsi Lestard ME; Ramos LA; Tuttolomondo ME; Ulic SE; Ben Altabef A
Spectrochim Acta A Mol Biomol Spectrosc; 2012 Oct; 96():332-9. PubMed ID: 22706098
[TBL] [Abstract][Full Text] [Related]
2. A conformational and vibrational study of CF(3)COSCH(2)CH(3).
Lestard ME; Tuttolomondo ME; Wann DA; Robertson HE; Rankin DW; Ben Altabef A
J Chem Phys; 2009 Dec; 131(21):214303. PubMed ID: 19968344
[TBL] [Abstract][Full Text] [Related]
3. 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]
4. Gas-phase structure, rotational barrier, and vibrational properties of methyl methanethiosulfonate, CH3SO2SCH3: an experimental and computational study.
Tuttolomondo ME; Navarro A; Ruiz TP; Varetti EL; Hayes SA; Wann DA; Robertson HE; Rankin DW; Altabef AB
J Phys Chem A; 2007 Oct; 111(39):9952-60. PubMed ID: 17760430
[TBL] [Abstract][Full Text] [Related]
5. Rotational isomers, density functional theory, vibrational spectroscopic studies, thermodynamic functions, NBO and HOMO-LUMO analyses of 2,6-Bis(chloromethyl)pyridine.
Balachandran V; Lalitha S; Rajeswari S
Spectrochim Acta A Mol Biomol Spectrosc; 2012 Nov; 97():1023-32. PubMed ID: 22925978
[TBL] [Abstract][Full Text] [Related]
6. DFT, FT-Raman, FT-IR, HOMO-LUMO and NBO studies of 4-Methylmorpholine.
Balachandran V; Mahalakshmi G; Lakshmi A; Janaki A
Spectrochim Acta A Mol Biomol Spectrosc; 2012 Nov; 97():1101-10. PubMed ID: 22929905
[TBL] [Abstract][Full Text] [Related]
7. CF₃CF₂N=S(F)CF₃: vibrational spectra and conformational properties.
Robles NL; Oberhammer H; Mews R; Cutin EH
Spectrochim Acta A Mol Biomol Spectrosc; 2014 May; 125():1-6. PubMed ID: 24534423
[TBL] [Abstract][Full Text] [Related]
8. 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]
9. Quantum mechanical study of the structure and spectroscopic (FT-IR, FT-Raman, 13C, 1H and UV), first order hyperpolarizabilities, NBO and TD-DFT analysis of the 4-methyl-2-cyanobiphenyl.
Sebastian S; Sundaraganesan N; Karthikeiyan B; Srinivasan V
Spectrochim Acta A Mol Biomol Spectrosc; 2011 Feb; 78(2):590-600. PubMed ID: 21195659
[TBL] [Abstract][Full Text] [Related]
10. 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]
11. Vanillin and isovanillin: comparative vibrational spectroscopic studies, conformational stability and NLO properties by density functional theory calculations.
Balachandran V; Parimala K
Spectrochim Acta A Mol Biomol Spectrosc; 2012 Sep; 95():354-68. PubMed ID: 22542395
[TBL] [Abstract][Full Text] [Related]
12. 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]
13. 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]
14. The spectroscopic (FT-IR, FT-Raman), NCA, first order hyperpolarizability, NBO analysis, HOMO and LUMO analysis of L-cysteine by ab inito HF and density functional method.
Chandra S; Saleem H; Sebastian S; Sundaraganesan N
Spectrochim Acta A Mol Biomol Spectrosc; 2011 May; 78(5):1515-24. PubMed ID: 21377921
[TBL] [Abstract][Full Text] [Related]
15. 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]
16. Molecular structure, natural bond analysis, vibrational, and electronic spectra of aspartateguanidoacetatenickel(II), [Ni(Asp)(GAA)]·H₂O: DFT quantum mechanical calculations.
Ramos JM; de M Cruz MT; Costa AC; Ondar GF; Ferreira GB; Raniero L; Martin AA; Versiane O; Téllez Soto CA
Spectrochim Acta A Mol Biomol Spectrosc; 2012 Nov; 97():1041-51. PubMed ID: 22925980
[TBL] [Abstract][Full Text] [Related]
17. 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]
18. Vibrational spectroscopic, first-order hyperpolarizability and HOMO, LUMO studies of 4-chloro-2-(trifluoromethyl) aniline based on DFT calculations.
Arivazhagan M; Subhasini VP; Austine A
Spectrochim Acta A Mol Biomol Spectrosc; 2012 Feb; 86():205-13. PubMed ID: 22074887
[TBL] [Abstract][Full Text] [Related]
19. Molecular structure, vibrational spectroscopic (FT-IR, FT-Raman), UV-vis spectra, first order hyperpolarizability, NBO analysis, HOMO and LUMO analysis, thermodynamic properties of benzophenone 2,4-dicarboxylic acid by ab initio HF and density functional method.
Chaitanya K
Spectrochim Acta A Mol Biomol Spectrosc; 2012 Feb; 86():159-73. PubMed ID: 22137747
[TBL] [Abstract][Full Text] [Related]
20. Vibrational spectra of the trifluoromethylsulfinate anion and scaled quantum mechanical force fields for CF3SO2- and CF3SeO2-.
Fernández LE; Varetti EL
Spectrochim Acta A Mol Biomol Spectrosc; 2006 Nov; 65(3-4):560-4. PubMed ID: 16533616
[TBL] [Abstract][Full Text] [Related]
[Next] [New Search]