441 related articles for article (PubMed ID: 16257751)
1. The hydrogen bonding and conformations of p-tert-butylcalix[4]arene as studied by IR spectroscopy and by DFT calculations.
Furer VL; Borisoglebskaya EI; Zverev VV; Kovalenko VI
Spectrochim Acta A Mol Biomol Spectrosc; 2005 Nov; 62(1-3):483-93. PubMed ID: 16257751
[TBL] [Abstract][Full Text] [Related]
2. IR and NMR spectra, intramolecular hydrogen bonding and conformations of para-tert-butyl-aminothiacalix[4]arene in solid state and chloroform solution.
Zvereva EE; Katsyuba SA; Vandyukov AE; Chernova AV; Kovalenko VI; Solovieva SE; Antipin IS; Konovalov AI
Spectrochim Acta A Mol Biomol Spectrosc; 2010 Feb; 75(2):872-9. PubMed ID: 20042365
[TBL] [Abstract][Full Text] [Related]
3. Band intensity in the IR spectra and conformations of calix[4]arene and thiacalix[4]arene.
Furer VL; Borisoglebskaya EI; Kovalenko VI
Spectrochim Acta A Mol Biomol Spectrosc; 2005 Jan; 61(1-2):355-9. PubMed ID: 15556460
[TBL] [Abstract][Full Text] [Related]
4. DFT and IR spectroscopic analysis of p-tert-butylthiacalix[4]arene.
Furer VL; Borisoglebskaya EI; Zverev VV; Kovalenko VI
Spectrochim Acta A Mol Biomol Spectrosc; 2006 Jan; 63(1):207-12. PubMed ID: 15978870
[TBL] [Abstract][Full Text] [Related]
5. A combined experimental and theoretical study on the conformational behavior of a calix[6]arene.
Boulet B; Joubert L; Cote G; Bouvier-Capely C; Cossonnet C; Adamo C
J Phys Chem A; 2006 May; 110(17):5782-91. PubMed ID: 16640372
[TBL] [Abstract][Full Text] [Related]
6. Structure and vibrational spectrum of the hydrogen-bonded system between 4-tert-butylphenol and N-bases: Ab initio and DFT studies.
Dimitrova Y
Spectrochim Acta A Mol Biomol Spectrosc; 2008 Feb; 69(2):517-23. PubMed ID: 17602858
[TBL] [Abstract][Full Text] [Related]
7. Vibrational spectra, co-operative intramolecular hydrogen bonding and conformations of calix[4]arene and thiacalix[4]arene molecules and their para-tert-butyl derivatives.
Katsyuba S; Kovalenko V; Chernova A; Vandyukova E; Zverev V; Shagidullin R; Antipin I; Solovieva S; Stoikov I; Konovalov A
Org Biomol Chem; 2005 Jul; 3(14):2558-65. PubMed ID: 15999187
[TBL] [Abstract][Full Text] [Related]
8. 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]
9. Ab initio and DFT studies of the vibrational spectra of hydrogen-bonded PhOH...(H2O)4 complexes.
Dimitrova Y
Spectrochim Acta A Mol Biomol Spectrosc; 2004 Nov; 60(13):3049-57. PubMed ID: 15477143
[TBL] [Abstract][Full Text] [Related]
10. Theoretical study of the vibrational spectra of the hydrogen-bonded systems between pyridine-3-carboxamide (nicotinamide) and DMSO.
Dimitrova Y; Daskalova LI
Spectrochim Acta A Mol Biomol Spectrosc; 2009 Jan; 71(5):1720-7. PubMed ID: 18829378
[TBL] [Abstract][Full Text] [Related]
11. Molecular structure, IR spectra of 2-mercaptobenzothiazole and 2-mercaptobenzoxazole by density functional theory and ab initio Hartree-Fock calculations.
Li XH; Tang ZX; Zhang XZ
Spectrochim Acta A Mol Biomol Spectrosc; 2009 Sep; 74(1):168-73. PubMed ID: 19553157
[TBL] [Abstract][Full Text] [Related]
12. Comparison of experimental and density functional study on the molecular structure, infrared and Raman spectra and vibrational assignments of 6-chloronicotinic acid.
Karabacak M; Kurt M
Spectrochim Acta A Mol Biomol Spectrosc; 2008 Dec; 71(3):876-83. PubMed ID: 18358772
[TBL] [Abstract][Full Text] [Related]
13. Theoretical study of the changes in the vibrational characteristics arising from the hydrogen bonding between Vitamin C (L-ascorbic acid) and H2O.
Dimitrova Y
Spectrochim Acta A Mol Biomol Spectrosc; 2006 Feb; 63(2):427-37. PubMed ID: 16427351
[TBL] [Abstract][Full Text] [Related]
14. Ab initio comprehensive conformational analysis of 2'-deoxyuridine, the biologically significant DNA minor nucleoside, and reconstruction of its low-temperature matrix infrared spectrum.
Yurenko YP; Zhurakivsky RO; Ghomi M; Samijlenko SP; Hovorun DM
J Phys Chem B; 2008 Jan; 112(4):1240-50. PubMed ID: 18092770
[TBL] [Abstract][Full Text] [Related]
15. Proton dynamics in the strong chelate hydrogen bond of crystalline picolinic acid N-oxide. A new computational approach and infrared, raman and INS study.
Stare J; Panek J; Eckert J; Grdadolnik J; Mavri J; Hadzi D
J Phys Chem A; 2008 Feb; 112(7):1576-86. PubMed ID: 18225869
[TBL] [Abstract][Full Text] [Related]
16. Density functional theory study on the structure and vibrational frequencies of glycylglycine.
Zhao B; Wang C; Zhao S; Qin M; Zhou Z; Sun Y
Spectrochim Acta A Mol Biomol Spectrosc; 2008 Jul; 70(2):301-6. PubMed ID: 17919969
[TBL] [Abstract][Full Text] [Related]
17. Vibrational spectroscopic studies, conformations and ab initio calculations of 3,3,3-trifluoropropyltrichlorosilane.
Guirgis GA; Horn A; Klaeboe P; Nielsen CJ
Spectrochim Acta A Mol Biomol Spectrosc; 2005 May; 61(7):1335-46. PubMed ID: 15820867
[TBL] [Abstract][Full Text] [Related]
18. 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]
19. 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]
20. Spectroscopic and theoretical study of 2-acetylphenyl-2-naphthoate.
Suarez GS; Massa NE; Jubert AH; Jios JL; Autino JC; Romanelli GP
Spectrochim Acta A Mol Biomol Spectrosc; 2009 Jan; 71(5):1989-98. PubMed ID: 18805730
[TBL] [Abstract][Full Text] [Related]
[Next] [New Search]
