H. Flakus

发表

Photochromic supramolecular azopolyimides based on hydrogen bonds

K. Bijak, E. Schab-Balcerzak, J. Stumpe, 2015 .

Recent Advances in Spectroscopy of Hydrogen-Bonded Systems

M. Wójcik, J. Sadlej, H. Flakus, 2012 .

Infrared spectra of the hydrogen bond in benzoic acid crystals: temperature and polarization effects.

H. Flakus, Michał Chełmecki, 2002, Spectrochimica acta. Part A, Molecular and biomolecular spectroscopy.

The effect of protonic motion on the electronic properties of hydrogen-bonded complexes

R. J. Boyd, H. Flakus, 1985 .

Inter-hydrogen bond dynamical coupling effects in polarized IR spectra of N-methylacetamide single crystals

H. Flakus, A. Michta, 2009 .

The source of the differences in the IR spectral properties of the hydrogen bond in two isomeric thioamide crystals: Thioacetanilide and N-methylthiobenzamide

P. Lodowski, H. Flakus, B. Hachuła, 2015 .

Electrical anharmonicity in hydrogen bonded systems: complete interpretation of the IR spectra of the Cl-H[combining right harpoon above] stretching band in the gaseous (CH3)2OHCl complex.

M. Wójcik, T. Nakajima, H. Flakus, 2017, Physical chemistry chemical physics : PCCP.

Electron-induced phase transition in hydrogen-bonded anhydrous solid state 4-pyridone

H. Flakus, Aleksandra Tyl, 2012 .

Polarized IR spectra of the hydrogen bond in 2-thiopheneacetic acid and 2-thiopheneacrylic acid crystals: H/D isotopic and temperature effects.

H. Flakus, N. Rekik, A. Jarczyk, 2012, The journal of physical chemistry. A.

Intermolecular Interactions in the Solid State of Ionic Secondary Mannich Bases

Agnieszka Adamczyk-Woźniak, H. Flakus, A. Koll, 2012 .

Polarized IR spectra of the hydrogen bond in two different oxindole polymorphs with cyclic dimers in their lattices.

H. Flakus, B. Hachuła, 2011, The journal of physical chemistry. A.

The source of similarity of the IR spectra of acetic acid in the liquid and solid-state phases

H. Flakus, B. Hachuła, 2011 .

Effects of dynamical couplings in IR spectra of the hydrogen bond in N-phenylacrylamide crystals.

J. Kusz, M. Nowak, H. Flakus, 2011, The journal of physical chemistry. A.

The hydrogen bond IR spectra of indole-3-carboxaldehyde and 3-acetylindole crystals – The reason behind their similarity

H. Flakus, B. Hachuła, A. Pyzik, 2011 .

Effects of dynamical couplings in hydrogen bond systems in the polarized IR spectra of 3-hydroxybenzaldehyde and 4-hydroxybenzaldehyde crystals

H. Flakus, B. Hachuła, 2010 .

Effects of strong inter-hydrogen bond dynamical couplings in the polarized IR spectra of adipic acid crystals

M. Jabłońska, H. Flakus, Aleksandra Tyl, 2009 .

An anomalous linear dichroic effect in the polarized IR spectra of 2-furancarboxylic acid crystals: Proton transfer induced by co-operative interactions involving hydrogen bonds

J. Kusz, M. Jabłońska, H. Flakus, 2009 .

Strong vibrational exciton coupling effects in polarized IR spectra of the hydrogen bond in 2-thiopyridone crystals

H. Flakus, Aleksandra Tyl, 2008 .

A systematic study of polarized IR spectra of the hydrogen bond in formic acid crystals

H. Flakus, B. Stachowska, 2006 .

Study of polarized IR spectra of the hydrogen bond system in crystals of styrylacetic acid.

M. Jabłońska, H. Flakus, P. Jones, 2006, Spectrochimica acta. Part A, Molecular and biomolecular spectroscopy.

H/D isotopic “self-organization” effects in the infrared spectra of cyclic tetramers of hydrogen bonds: Polarized spectra of 7-azaindole crystals

H. Flakus, A. Pyzik, 2006 .

Vibronic model for H/D isotopic “self-organization” effects in hydrogen bond cyclic trimeric systems: 4-Bromopyrazole crystal IR spectra

H. Flakus, A. Pyzik, 2006 .

Study of hydrogen bond polarized IR spectra of cinnamic acid crystals

M. Jabłońska, H. Flakus, 2004 .

Polarization IR spectra of the hydrogen bond in 1-naphthylacetic and 2-naphthylacetic acid crystals: H/D isotopic effects. Temperature and polarization effects

H. Flakus, Michał Chełmecki, 2004 .

Polarization IR spectra of hydrogen bonded 1-naphthoic acid and 2-naphthoic acid crystals: electronic effects in the spectra

H. Flakus, Michał Chełmecki, 2003 .

Vibronic model for H/D isotopic self-organization effects in centrosymmetric dimers of hydrogen bonds

H. Flakus, 2003 .

Polarization IR spectra of hydrogen bonded pyrazole crystals: self-organization effects in proton and deuteron mixture systems. Long-range H/D isotopic effects.

H. Flakus, Aleksandra Machelska, 2002, Spectrochimica acta. Part A, Molecular and biomolecular spectroscopy.

Infrared spectra of the hydrogen bonded glutaric acid crystals: polarization and temperature effects

H. Flakus, A. Miros, 1999 .

Abnormal distribution of protons and deuterons between the hydrogen bonds in cyclic centrosymmetric dimers in partially deuterated samples

H. Flakus, A. Bańczyk, 1999 .

‘Long-range’ isotopic H/D effects in the infrared spectra of the centrosymmetric dimeric systems of hydrogen bonds

H. Flakus, Aleksandra Machelska, 1998 .

An extended “strong-coupling” model of the IR spectral properties of molecular crystals with four H-bonds in a unit cell: the imidazole-type crystals

H. Flakus, A. Bryk, Aleksandra Bryk, 1995 .

A new approach to the problem of the hydrogen bond spectra of the adipic acid crystal : the polarization and temperature effects

H. Flakus, 1993 .

On the vibrational transition selection rules for the centrosymmetric hydrogen-bonded dimeric systems

H. Flakus, 1989 .

Numerical reproduction of the hydrogen bond infrared spectra in crystalline acetic acid

H. Flakus, 1983 .

The effect of strong coupling between vibrations in hydrogen bonds on the polarized spectra of the mercaptobenzothiazole crystal: an “anomalous” isotopic effect

H. Flakus, 1981 .

Computer simulation of the infrared spectrum of hydrogen bonded crystalline formic acid

H. Flakus, 1980 .

Effect of the resonance of the C-H and O-H bond stretching vibrations on the IR spectra of the hydrogen bond in formic and acetic acid.

H. Flakus, B. Hachuła, 2011, Spectrochimica acta. Part A, Molecular and biomolecular spectroscopy.

Spectroscopic and molecular structure investigation of 2-furanacrylic acid monomer and dimer using HF and DFT methods

H. Flakus, H. Ghalla, B. Oujia, 2014 .

Molecular docking studies, structural and spectroscopic properties of monomeric and dimeric species of benzofuran-carboxylic acids derivatives: DFT calculations and biological activities

Henryk T. Flakus, Abir Sagaama, Noureddine Issaoui, 2020, Comput. Biol. Chem..

Molecular structure and vibrational spectroscopic studies on 2-furanacetic acid monomer and dimer.

S. Yaghmour, H. Flakus, H. Ghalla, 2015, Spectrochimica acta. Part A, Molecular and biomolecular spectroscopy.

A complete assignment of the vibrational spectra of 2-furoic acid based on the structures of the more stable monomer and dimer.

M. V. Castillo, S. Brandán, H. Flakus, 2014, Spectrochimica acta. Part A, Molecular and biomolecular spectroscopy.

IR spectral density of the υS(Cl–H→) band in gaseous (CH3)2O…HCl complex: Phase decoherence due to the anharmonic coupling theory and the bending mode effects

S. Salman, H. Flakus, N. Rekik, 2019, Chemical Physics.

THEORETICAL MODELING OF HYDROGEN BOND INFRARED SPECTRA IN MOLECULAR CRYSTALS OF 2-THIOPHENEACETIC ACID : FERMI RESONANCE AND DAVYDOV COUPLING EFFECTS

H. Flakus, H. Ghalla, B. Oujia, 2016 .

Experimental and theoretical study of the polarized infrared spectra of the hydrogen bond in 3‐thiophenic acid crystal

Rekik Najeh, Ghalla Houcine, Henryk T. Flakus, 2009, J. Comput. Chem..

Theoretical modeling of infrared spectra of the hydrogen and deuterium bond in aspirin crystal.

H. Flakus, H. Ghalla, B. Oujia, 2010, Spectrochimica acta. Part A, Molecular and biomolecular spectroscopy.

Polarized infrared spectra of the H(D) bond in 2-thiophenic acid crystals: a spectroscopic and computational study.

M. Jabłońska, H. Flakus, H. Ghalla, 2009, Chemphyschem : a European journal of chemical physics and physical chemistry.

Polarization IR spectra of model crystals containing cyclic N-H...S bonded dimers: 2-mercaptothiazoline and 2-mercapto-1-methylimidazole.

H. Flakus, A. Miros, P. Jones, 2002, Spectrochimica acta. Part A, Molecular and biomolecular spectroscopy.

Combined experimental and theoretical studies on the molecular structures, spectroscopy, and inhibitor activity of 3-(2-thienyl)acrylic acid through AIM, NBO,FT-IR, FT-Raman, UV and HOMO-LUMO analyses, and molecular docking

M. Karabacak, H. Flakus, H. Ghalla, 2017 .

Polarization IR spectra of the hydrogen bond in phenylacetic acid crystals: H/D isotopic effects temperature and polarization effects.

H. Flakus, Michał Chełmecki, 2002, Spectrochimica acta. Part A, Molecular and biomolecular spectroscopy.

Molecular structure, vibrational spectra, AIM, HOMO-LUMO, NBO, UV, first order hyperpolarizability, analysis of 3-thiophenecarboxylic acid monomer and dimer by Hartree-Fock and density functional theory.

S. Muthu, H. Flakus, H. Ghalla, 2015, Spectrochimica acta. Part A, Molecular and biomolecular spectroscopy.

An ab initio SCF calculation of the effect of water-anion and water-cation interactions on the vibrational frequencies of water

R. J. Boyd, H. Flakus, M. Falk, 1986 .

H/D isotopic recognition in hydrogen bonded systems: H/D isotopic self-organization effects in the IR spectra of the hydrogen bond in 2-methylimidazole crystals.

A. Stolarczyk, H. Flakus, B. Hachuła, 2012, Spectrochimica acta. Part A, Molecular and biomolecular spectroscopy.

Strong coupling effects in the polarized IR spectra of the chain hydrogen bond systems in imidazole crystals: H/D isotopic ‘self-organization’ effects in the IR spectra of isotopically diluted imidazole single crystals

H. Flakus, A. Michta, 2004 .

H/D isotopic recognition and temperature effects in IR spectra of hydrogen-bonded cyclic dimers in crystals: 3-methylcinnamic acid and 4-phenylbutyric acid.

J. Kusz, M. Nowak, H. Flakus, 2015, Spectrochimica acta. Part A, Molecular and biomolecular spectroscopy.

Inter-hydrogen bond coupling in crystals with molecular chains in their lattices investigated by polarized IR spectroscopy: 4-Bromo-3,5-dimethylpyrazole and 3,4-dimethoxyphenylacetic acid.

H. Flakus, B. Hachuła, A. Polasz, 2014, Spectrochimica acta. Part A, Molecular and biomolecular spectroscopy.

Inter-hydrogen bond coupling in crystals of 3-phenylpyrazole polymorphs investigated by polarized IR spectroscopy.

A. Stolarczyk, H. Flakus, Aleksandra Garbacz, 2014, Spectrochimica acta. Part A, Molecular and biomolecular spectroscopy.

Temperature, H/D isotopic and Davydov-splitting effects in the polarized IR spectra of hydrogen bond chain systems: 1,2,4-Triazole and 3-methyl-2-oxindole crystals.

H. Flakus, B. Hachuła, A. Polasz, 2014, Spectrochimica acta. Part A, Molecular and biomolecular spectroscopy.

A resonance model for the and vX-H vibrations in the bent H-bonds, for interpretation of the vibration first overtone band shapes in the IR: The imidazole crystal

H. Flakus, A. Bryk, Aleksandra Bryk, 1996 .

Effects of strong dynamical couplings between vibrations in the IR spectra of the bifurcated hydrogen bonds

H. Flakus, 1989 .

A unified quantum model susceptible to elucidate the dissimilarity of IR spectral density of dicarboxylic acid crystals: Phthalic and terephthalic acid crystals cases.

H. Flakus, N. Rekik, N. Alsaif, 2020, Spectrochimica acta. Part A, Molecular and biomolecular spectroscopy.

How far the vibrational exciton interactions are responsible for the generation of the infrared spectra of oxindole crystals?

S. Salman, A. Alshoaibi, H. Flakus, 2020, Spectrochimica acta. Part A, Molecular and biomolecular spectroscopy.

Davydov coupling as a factor influencing the H-bond IR signature: Computational study of the IR spectra of 3-thiopheneacrylic acid crystal

F. Al-Agel, H. Flakus, N. Rekik, 2016 .

Elucidating the Davydov-coupling mechanism in hydrogen bond dimers: Experimental and theoretical investigation of the polarized IR spectra of 3-thiopheneacetic and 3-thiopheneacrylic acid crystals.

J. Kusz, M. Nowak, F. Al-Agel, 2015 .

Extremely strong temperature-dependent Davydow-splitting effects in the polarized IR spectra of the hydrogen bond: Pyrazole and quinolin-2(1H)-one crystals

H. Flakus, B. Hachuła, A. Polasz, 2014 .

H/D isotopic and temperature effects in the polarized IR spectra of hydrogen-bond cyclic trimers in the crystal lattices of acetone oxime and 3,5-dimethylpyrazole.

H. Flakus, Aleksandra Garbacz, B. Hachuła, 2012, The journal of physical chemistry. A.

Temperature and H/D Isotopic Effects in the IR Spectra of the Hydrogen Bond in Solid-State 2-Furanacetic Acid and 2-Furanacrylic Acid

H. Flakus, Anna Jarczyk-Jedryka, 2012 .

Temperature and H/D isotopic "self-organization" effects in the IR spectra of the hydrogen bond tetramer systems in 3,5-diphenylpyrazole and 4-methyl-1,2,4-triazolethione crystals.

H. Flakus, Aleksandra Majchrowska, B. Hachuła, 2012, The journal of physical chemistry. A.

Complexes of 2,6-dimethylpyridine with water in condensed phases and the dynamical co-operative interactions involving hydrogen bonds.

M. Rogalski, W. Marczak, B. Czech, 2009, Physical chemistry chemical physics : PCCP.

Polarization IR spectra of the hydrogen bond in 2-oxazolidone crystals: isotopic dilution effects in the crystalline spectra

H. Flakus, A. Michta, 2003 .

Experimental FTIR and FT-Raman and theoretical studies on the molecular structures of monomer and dimer of 3-thiopheneacrylic acid

S. Brandán, H. Flakus, H. Ghalla, 2017 .

Influence of molecular electronic properties on the IR spectra of dimeric hydrogen bond systems: polarized spectra of 2-hydroxybenzothiazole and 2-mercaptobenzothiazole crystals

H. Flakus, A. Miros, P. Jones, 2002 .

"Long-distance" H/D isotopic self-organization phenomena in scope of the infrared spectra of hydrogen-bonded terephthalic and phthalic acid crystals.

Jakub T. Hołaj-Krzak, F. Al-Agel, H. Flakus, 2017, Spectrochimica acta. Part A, Molecular and biomolecular spectroscopy.

Theoretical interpretation of the infrared lineshape of liquid and gaseous acetic acid

H. Flakus, P. Blaise, O. Henri-Rousseau, 2006 .

Infrared spectra of the hydrogen bond in pimelic acid crystals: polarization and temperature effects.

H. Flakus, A. Miros, 2001, Spectrochimica acta. Part A, Molecular and biomolecular spectroscopy.

Steepest-descent algorithm for vibrational analysis calculations

H. Flakus, J. Czarniecki, 1981 .

Effect of the resonance of molecular vibrations on the ir spectra of hydrogen bonds

H. Flakus, 1981 .

Theoretical model of infrared spectra of hydrogen bonds in molecular crystals of 2-thiopheneacetic acid: Fermi resonance and Davdov coupling effects.

H. Flakus, H. Ghalla, B. Oujia, 2016 .

Effects of “excessive” exciton interactions in polarized IR spectra of the hydrogen bond in 2-butynoic acid crystals: Proton transfer induced by dynamical co-operative interactions involving hydrogen bonds

H. Flakus, B. Hachuła, 2008 .

Strong vibronic coupling effects in polarized IR spectra of the hydrogen bond in N-methylthioacetamide crystals

K. Stadnicka, H. Flakus, W. Śmiszek-Lindert, 2007 .

Strong coupling effects in the polarized IR spectra of the chain hydrogen bond systems in 3-pyridinealdoxime and 4-pyridinealdoxime crystals: H/D isotopic self-organization effects in the IR spectra

H. Flakus, A. Michta, 2005 .

Distribution of hydrogen isotopes in proton and deuteron mixtures in open-chain hydrogen bond systems: polarization IR spectra of 3-hydroxypyridine crystals

H. Flakus, P. Jones, Aleksandra Tyl, 2003 .

'Self-organization' processes in proton and deuteron mixtures in open-chain hydrogen bond systems: polarization IR spectra of 4-mercaptopyridine crystals.

H. Flakus, P. Jones, Aleksandra Tyl, 2002, Spectrochimica acta. Part A, Molecular and biomolecular spectroscopy.

On anomalous H/D isotopic effects for νXH and νXD band integral intensities in IR spectra of cyclic hydrogen-bonded dimeric systems

H. Flakus, K. Rogosz, 1998 .

Reversal exciton coupling effect in the IR spectra of the hydrogen bond cyclic dimers; polarized IR spectra of 3-hydroxy-4-methyl-2(3H)-thiazolethione crystals

J. Kusz, H. Flakus, A. Michta, 2007 .

Strong dynamic coupling effects in the IR spectra of H-bonded 2-mercaptoquinoline

H. Flakus, 1994 .

H/D isotopic recognition mechanism in hydrogen-bonded crystals of 3-methylacetanilide and 4-methylacetanilide.

H. Flakus, B. Hachuła, W. Śmiszek-Lindert, 2012, Spectrochimica acta. Part A, Molecular and biomolecular spectroscopy.

H/D isotopic recognition in hydrogen-bonded systems: strong dynamical coupling effects in the polarized IR spectra of 3-methylthioacetanilide and 4-methylthioacetanilide crystals.

H. Flakus, B. Hachuła, W. Śmiszek-Lindert, 2011, The journal of physical chemistry. A.

Polarized IR spectra of the hydrogen bond in acetic acid crystals

H. Flakus, Aleksandra Tyl, 2007 .