Comprehensive physicochemical studies of a new hybrid material: 2-amino-4-methyl-3-nitropyridinium hydrogen oxalate

scientific article published on 20 August 2013

Conformation of azo-bridge in 3,3'-dinitro-2,2'-azobipyridine and its 4,4'(or 5,5' or 6,6')-dimethyl-derivatives: vibrational studies and DFT quantum chemical calculations.

artículo científico publicado en 2014

Crystal and molecular structure of 2-amino-5-chloropyridinium hydrogen selenate-its IR and Raman spectra, DFT calculations and physicochemical properties

Crystal structure, vibrational and NMR studies and chemical quantum calculations of 2-phenylazo-5-nitro-6-methyl-pyridine (C12H10N4O2)

Crystallographic and spectroscopic studies as well as DFT quantum chemical calculations of hydrazo-bond conformation in 4,4′-dimethyl-3,3′,5,5′-tetranitro-2,2-hydrazobipyridine

Excited electronic states of 2-ethylamino-(3 or 5)-methyl-4-nitropyridine and 2-methylamino-(3 or 5)-methyl-4-nitropyridine

Excited electronic states of 2-ethylamino-(3 or 5-methyl)-4-nitropyridine

Excited states of selected hydrazo-compounds on the example of 5-nitro-2-(2-phenylhydrazinyl)pyridine and its 3-, 4- or 6-methyl isomers

Experimental and simulated 1H and 13C NMR spectra (GIAO/DFT approach) and molecular and crystal structures of dimethyl-dinitro-azo- and dimethyl-dinitro-hydrazo-pyridines

IR and Raman studies, and DFT quantum chemical calculations of the vibrational levels for α-4-methylbenzophenone

Influence of methyl and nitro group substitutions on the structure and vibrational characteristics of the hydrazo-bridge in 6,6′-dimethyl-3,3′,5,5′-tetranitro-2,2′-hydrazobipyridine

Intra- and inter-molecular hydrogen bonds, conformation and vibrational characteristics of hydrazo-group in 5-nitro-2-(2-phenylhydrazinyl)pyridine and its 3-, 4- or 6-methyl isomers

artículo científico publicado en 2013

Molecular and crystal structure, IR and Raman spectra, and quantum chemical calculations for 2-hydroxy-3-cyano-4-methylpyridine

Molecular and crystal structures, vibrational studies and quantum chemical calculations of 3 and 5-nitroderivatives of 2-amino-4-methylpyridine

artículo científico publicado en 2012

Molecular structure and vibrational spectra of 3 (or 4 or 6)‐methyl‐5‐nitro‐2‐pyridinethiones: FT‐IR, FT‐Raman and DFT quantum chemical calculations

Molecular structure and vibrational spectra of quercetin and quercetin-5’-sulfonic acid

Polarized IR and Raman study and DFT chemical quantum calculations of the vibrational levels for benzophenone single crystal

Spectral and energetic transformation of femtosecond light impulses in the Eu3+ complex with dehydroacetic acid

Spectroscopic investigation and DFT modelling studies of Eu 3+ complex with 1-(2,6-dihydroxyphenyl)ethanone

Spectroscopic properties of Eu 3+ complex with 2-hydroxy-4-metoxy-benzophenone – IR, Raman, DFT calculations and femtosecond laser excited luminescence

Spontaneous and stimulated Raman scattering and infrared spectra of benzil(C14H10O2) crystal: promoting modes of the stimulated effect, anharmonicity and scaling factors of fundamental vibrations

Structure, vibrational spectra and DFT characterization of the intra- and inter-molecular interactions in 2-hydroxy-5-methylpyridine-3-carboxylic acid--normal modes of the eight-membered HB ring

artículo científico publicado en 2013

Synthesis, crystal structure, magnetic and vibrational properties of formamidine-templated Co and Fe formates

Synthesis, magnetic and vibrational properties of two novel mixed-valence iron(II)-iron(III) formate frameworks

Synthesis, molecular structure, IR and Raman spectra as well as DFT chemical calculations for alkylamides of thiocyanoacetic acid

The hydrazo-bond in 4,4'-dimethyl-3,3'-dinitro-2,2'-hydrazobipyridine - crystal structure, conformation and vibrational characteristics.

artículo científico publicado en 2014

The role of hydrogen bonds in the crystals of 2-amino-4-methyl-5-nitropyridinium trifluoroacetate monohydrate and 4-hydroxybenzenesulfonate - X-ray and spectroscopic studies.

artículo científico publicado en 2013

Vibrational properties and DFT calculations of formamidine-templated Co and Fe formates

article

Vibrational spectra and chemical quantum calculations for 2-adamantylamino-5-nitropyridine crystals--a novel material for laser Raman converters.

artículo científico publicado en 2005

Vibrational spectra, DFT chemical quantum calculations and conformation of the hydrazo-bond in 2,2′-hydrazobipyridine with relation to 2,2′-azobipyridine

Vibrational spectra, crystal structure, DFT quantum chemical calculations and conformation of the hydrazo – bond in 6-methyl-3-nitro-2-(2-phenylhydrazinyl)pyridine

artículo científico publicado en 2013

Vibrational study, crystal structure and quantum calculations of 2,2′-azobipyridine and 4,4′-dimethyl-3,3′-dinitro-2,2′-azobipyridine