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1.
Solvation effects on wavenumbers and absorption intensities of the OH-stretch vibration in phenolic compounds - electrical- and mechanical anharmonicity via a combined DFT/Numerov approach.
Phys Chem Chem Phys
; 22(23): 13017-13029, 2020 Jun 17.
Artículo
en Inglés
| MEDLINE | ID: mdl-32478350
2.
Absorption intensity changes and frequency shifts of fundamental and first overtone bands for OH stretching vibration of methanol upon methanol-pyridine complex formation in CCl4: analysis by NIR/IR spectroscopy and DFT calculations.
Phys Chem Chem Phys
; 18(7): 5580-6, 2016 Feb 21.
Artículo
en Inglés
| MEDLINE | ID: mdl-26862859
3.
A spectroscopic and theoretical study in the near-infrared region of low concentration aliphatic alcohols.
Phys Chem Chem Phys
; 18(19): 13666-82, 2016 05 11.
Artículo
en Inglés
| MEDLINE | ID: mdl-27137865
4.
Spectroscopic and Computational Study of Acetic Acid and Its Cyclic Dimer in the Near-Infrared Region.
J Phys Chem A
; 120(31): 6170-83, 2016 Aug 11.
Artículo
en Inglés
| MEDLINE | ID: mdl-27482762
5.
Combined IR/NIR and density functional theory calculations analysis of the solvent effects on frequencies and intensities of the fundamental and overtones of the C â O stretching vibrations of acetone and 2-hexanone.
J Phys Chem A
; 118(14): 2576-83, 2014 Apr 10.
Artículo
en Inglés
| MEDLINE | ID: mdl-24654701
6.
Advances in Molecular Structure and Interaction Studies Using Near-Infrared Spectroscopy.
Chem Rev
; 115(18): 9707-44, 2015 Sep 23.
Artículo
en Inglés
| MEDLINE | ID: mdl-26370249
7.
Solvent dependence of absorption intensities and wavenumbers of the fundamental and first overtone of NH stretching vibration of pyrrole studied by near-infrared/infrared spectroscopy and DFT calculations.
J Phys Chem A
; 115(7): 1194-8, 2011 Feb 24.
Artículo
en Inglés
| MEDLINE | ID: mdl-21299252
8.
Hydrogen bonding effects on the wavenumbers and absorption intensities of the OH fundamental and the first, second, and third overtones of phenol and 2,6-dihalogenated phenols studied by visible/near-infrared/infrared spectroscopy.
J Phys Chem A
; 115(35): 9845-53, 2011 Sep 08.
Artículo
en Inglés
| MEDLINE | ID: mdl-21800903
9.
Anharmonic calculations of frequencies and intensities of OH stretching vibrations of (R)-1,3-butanediol conformers in the fundamentals and first overtones by density functional theory.
Spectrochim Acta A Mol Biomol Spectrosc
; 197: 251-254, 2018 May 15.
Artículo
en Inglés
| MEDLINE | ID: mdl-29501370
10.
Shape-controlled crystal growth of Sr3NbGa3Si2O14 and Sr3TaGa3Si2O14 piezoelectric crystals by the micro-pulling-down method.
IEEE Trans Ultrason Ferroelectr Freq Control
; 59(9): 1864-7, 2012 Sep.
Artículo
en Inglés
| MEDLINE | ID: mdl-23007751
11.
Shaped crystal growth of langasite-type piezoelectric single crystals and their physical properties.
IEEE Trans Ultrason Ferroelectr Freq Control
; 59(9): 1868-71, 2012 Sep.
Artículo
en Inglés
| MEDLINE | ID: mdl-23007752
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