Search Results - "Billes, Ferenc"

Application of quantum chemistry for the interpretation of vibrational spectra by Billes, Ferenc, Ziegler, Ildikó, Mikosch, Hans

“…This article illustrates the development of the vibrational spectroscopic research in our group during the last 15 years. The possibilities for the application…”
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Optical Spectroscopy and Theoretical Studies in Calixarene Chemistry by Mohammed-Ziegler, Ildikó, Billes, Ferenc

“…This review summarizes different applications of optical spectroscopic methods in calixarene chemistry including UV/Vis spectrometry, vibrational spectroscopic…”
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A Density Functional, Infrared Linear Dichroism, and Normal Coordinate Study of Phenol and its Deuterated Derivatives:  Revised Interpretation of the Vibrational Spectra by Keresztury, Gábor, Billes, Ferenc, Kubinyi, Miklós, Sundius, Tom

“…The assignment of the vibrational spectra of phenol has been reexamined on the basis of Raman and new IR measurements and theoretical analysis of the normal…”
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Bonding mechanisms between aflatoxin B 1 and smectite by Deng, Youjun, Velázquez, Ana Luisa Barrientos, Billes, Ferenc, Dixon, Joe B.

“…Bentonites were used in aflatoxin-contaminated feeds and diets to reduce bioavailability of the mycotoxin. The objectives of this study were to test…”
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Vibrational spectroscopic study of sodium-1,2,4-triazole, an important intermediate compound in the synthesis of several active substances by Billes, Ferenc, Ziegler, Ildikó, Mikosch, Hans

“…The molecular properties, geometric parameters, atomic charges, and vibrational spectra of sodium 1,2,4-triazolate were investigated with both experimentally…”
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Automated on-line dispersive liquid–liquid microextraction based on a sequential injection system by Andruch, Vasil, Acebal, Carolina Cecilia, Škrlíková, Jana, Sklenářová, Hana, Solich, Petr, Balogh, Ioseph S., Billes, Ferenc, Kocúrová, Lívia

“…A novel approach for sequential injection-dispersive liquid–liquid microextraction (SI-DLLME) has been suggested. The method is based on the aspiration and…”
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Vibrational spectroscopic study of dehydroacetic acid and its cinnamoyl pyrone derivatives by Billes, Ferenc, Elečková, Lenka, Mikosch, Hans, Andruch, Vasil

“…[Display omitted] •DFT calculation for the optimized molecular structures of the discussed γ-pyrones.•Evaluation of NBO atomic net charges.•Measurement and…”
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Bonding mechanisms between aflatoxin B1 and smectite by YOUJUN DENG, BARRIENTOS VELAZQUEZ, Ana Luisa, BILLES, Ferenc, DIXON, Joe B

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A combined DFT and vibrational spectroscopy study of the nickel and zinc O,O-diethyldithiophosphate complexes by Billes, Ferenc, Holmgren, Allan, Mikosch, Hans

“…Based on our earlier results on the theoretical and experimental study of potassium O,O-diethyldithiophosphate, the normal modes of nickel and zinc…”
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Structure and vibrational spectroscopy of the fenbufen–β-cyclodextrin inclusion complex by Billes, Ferenc, Hernanz, Antonio, Mikosch, Hans, Bratu, Ioan

“…The structure and host–guest interactions in the inclusion complex (179 atoms) of β-cyclodextrin with fenbufen are studied. Fenbufen, the biphenyl derivative…”
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Transportation behavior of alkali ions through a cell membrane ion channel. A quantum chemical description of a simplified isolated model by Billes, Ferenc, Mohammed-Ziegler, Ildikó, Mikosch, Hans

“…Quantum chemical model calculations were carried out for modeling the ion transport through an isolated ion channel of a cell membrane. An isolated part of a…”
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Application of a bisindocarbocyanine reagent for dispersive liquid–liquid microextraction of silver with subsequent spectrophotometric determination by Kocúrová, Lívia, Balogh, Ioseph S., Nagy, Lajos, Billes, Ferenc, Simon, András, Andruch, Vasil

“…A novel, simple and environmentally friendly procedure for silver determination has been developed. The method is based on ion associate formation of AgI2− and…”
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Structure and vibrational spectroscopy of the fenbufen-[beta]-cyclodextrin inclusion complex by Billes, Ferenc, Hernanz, Antonio, Mikosch, Hans, Bratu, Ioan

“…The structure and host-guest interactions in the inclusion complex (179 atoms) of [beta]-cyclodextrin with fenbufen are studied. Fenbufen, the biphenyl…”
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Vibrational spectroscopic study on the quantum chemical model and the X-ray structure of gallic acid, solvent effect on the structure and spectra by Billes, Ferenc, Mohammed-Ziegler, Ildikó, Bombicz, Petra

“…Infrared, Raman and far-IR spectra of gallic acid were recorded both in crystalline and in its dry form. Solvent effect of water was studied. The molecular and…”
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Vibrational spectroscopy of resveratrol by Billes, Ferenc, Mohammed-Ziegler, Ildikó, Mikosch, Hans, Tyihák, Ernő

“…In this article the authors deal with the experimental and theoretical interpretation of the vibrational spectra of trans-resveratrol (3,5,4′-trihydroxy-…”
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Solvent effect on the vibrational spectra of Carvedilol by Billes, Ferenc, Pataki, Hajnalka, Unsalan, Ozan, Mikosch, Hans, Vajna, Balázs, Marosi, György

“…[Display omitted] ► Solvent effect on Carvedilol was studied since it acts as medicine in aqueous solution. ► Two isolated ring systems are connected in it…”
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Vibrational spectroscopic study on 2-[2-(4-dipropylamino-phenyl)-vinyl]-1,3,3-trimethyl-3H-indolium chloride by Billes, Ferenc, Szabó, András, Studenyak, Yaroslav

“…A new styryl dye were prepared, 2-[2-(4-dipropylamino-phenyl)-vinyl]-1,3,3-trimethyl-3H-indolium chloride (DPPTVI) chloride. Its infrared and Raman were…”
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A DFT study on the vibrational spectroscopy of protoporphyrin IX by Billes, Ferenc, Várady, Balázs

“…Infrared and Raman spectra of protoporphyrin IX were recorded. DFT quantum chemical calculations were performed. Optimised molecular geometry, electric charge…”
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Revised assignment of the vibrational spectra of methylpyrazines based on scaled DFT force fields by Endrédi, Henrietta, Billes, Ferenc, Keresztury, Gábor

“…In this work the vibrational spectra of the monomethyl- and all possible dimethyl-derivatives of pyrazine are analyzed. The infrared and Raman spectra of the…”
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A Novel Non-Extractive Sequential Injection Procedure for Determination of Cadmium by Škrlíková, Jana, Andruch, Vasil, Sklenářová, Hana, Solich, Petr, Balogh, Ioseph S., Billes, Ferenc

“…This paper presents a novel non-extractive procedure for cadmium determination in a sequential injection (SI) system. The reaction is based on the formation of…”
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