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Autor publikacji Zdzisław Latajka
Impact of deuteration and temperature on furan ring dynamics.
Dopieralski Przemysław, Omelchenko Irina V., Latajka Zdzisław
Profesorowi Bogdanowi Burczykowi z okazji 90. rocznicy urodzin
Wilk Kazimiera A., Latajka Zdzisław
The nature of halogen bond in model OC∙∙∙XY systems from the energy decomposition analysis perspective.
Fojcik Łukasz, Latajka Zdzisław
Theoretical and experimental studies of the kinetics of the reaction of 1‐chloropropane and fully deuterated 1‐chloropropane with atomic chlorine.
Fojcik Łukasz, Sarzyński Dariusz S., Dryś Andrzej, Latajka Zdzisław
About the aromaticity of symm-triaminotrinitrobenzene.
Omelchenko Irina V., Shishkin Oleg V., Dopieralski Przemysław, Latajka Zdzisław
Experimental and theoretical study of the kinetics and mechanism of the reaction of chlorine atoms with CH3CHClCH3 and CD3CDClCD3
Sarzyński Dariusz S., Fojcik Łukasz, Latajka Zdzisław
Hydrogen detachment driven by a repulsive 1πσ* state - an electron localization function study of 3-amino-1,2,4-triazole.
Bil Andrzej, Latajka Zdzisław, Biczysko Małgorzata S.
Computational mechanochemistry.
Dopieralski Przemysław, Latajka Zdzisław
Theoretical studies on the molecular structure, conformational preferences, topological and vibrational analysis of allicin.
Durlak Piotr, Berski Sławomir, Latajka Zdzisław
On the multiple B-O bonding using the topological analysis of electron localisation function (ELF).
Mierzwa Grzegorz, Gordon Agnieszka J., Latajka Zdzisław, Berski Sławomir
Density functional theory based molecular dynamics simulations of C70O3 doped with light molecules.
Bil Andrzej, Latajka Zdzisław, Morrison Carole A.
Describing the chemical bonding in C70 and C70O3 - a quantum chemical topology study.
Bil Andrzej, Latajka Zdzisław, Hutter Jürg, Morrison Carole A.
Effects of xenon insertion into hydrogen bromide. Comparison of the electronic structure of the HBr···CO2 and HXeBr···CO2 complexes using quantum chemical topology methods: electron localization function, atoms in molecules and symmetry adapted perturbation theory.
Makarewicz Emilia, Gordon Agnieszka J., Mierzwicki Krzysztof, Latajka Zdzisław, Berski Sławomir
Electron localization function study on the chemical bonding in a real space for tetrahedrane, cubane, adamantane, and dodecahedrane and their perfluorinated derivatives and radical anions.
Berski Sławomir, Gordon Agnieszka J., Latajka Zdzisław
Experimental and theoretical studies of the reactions of chlorine atoms with 1,2-dichloroethane and 1,2-dichloroethane-d4 in the gas phase. The kinetics of hydrogen atom abstraction from the–CH2Cl group in chloroethane and 1,2-dichloroethane.
Sarzyński Dariusz S., Fojcik Łukasz, Gola Agnieszka A., Berkowski Ryszard, Jodkowski Jerzy T., Latajka Zdzisław
Matrix-isolation and computational study of the HXeY…H2O complexes ( Y = Cl, Br, and I).
Tsuge Masashi, Berski Sławomir, Räsänen Markku, Latajka Zdzisław, Khriachtchev Leonid
Quantum delocalization of benzene in the ring puckering coordinates.
Walewski Łukasz, Dopieralski Przemysław, Shishkin Oleg V., Latajka Zdzisław
Reaction of atomic hydrogen with formic acid.
Cao Qian, Berski Sławomir, Latajka Zdzisław, Räsänen Markku, Khriachtchev Leonid
Theoretical study on noncovalent interactions in the carbon nanotube-formic acid dimer system.
Okrasiński Piotr, Latajka Zdzisław, Hättig Christof
Ab initio molecular dynamics study of the very short O–H···O hydrogen bonds in the condensed phases.
Durlak Piotr, Latajka Zdzisław
Entropy versus aromaticity in the conformational dynamics of aromatic rings.
Shishkin Oleg V., Dopieralski Przemysław, Omelchenko Irina V., Gorb Leonid, Latajka Zdzisław, Leszczyński Jerzy
Experimental and computational study of the HXel···HY complexes (Y=Br and I).
Tsuge Masashi, Berski Sławomir, Räsänen Markku, Latajka Zdzisław, Khriachtchev Leonid
FONO: a difficult case for theory. The ELF and ELI–D topological studies on the chemical bonding using correlated wavefunctions.
Berski Sławomir, Gordon Agnieszka J., Latajka Zdzisław
Investigations of the very short hydrogen bond in the crystal of nitromalonamide via Car–Parrinello and path integral molecular dynamics.
Durlak Piotr, Mierzwicki Krzysztof, Latajka Zdzisław
Spectroscopic and computational characterization of the HCO···H2O complex.
Cao Qian, Berski Sławomir, Räsänen Markku, Latajka Zdzisław, Khriachtchev Leonid
Tuning of character of the N–O bond in HONO from covalent to protocovalent by different types of intramolecular interactions.
Shishkina Svitlana V., Slabko Anzhelika I., Berski Sławomir, Latajka Zdzisław, Shishkin Oleg V.
High kinetic stability of HXeBr upon interaction with carbon dioxide: HXeBr···CO2 complex in a xenon matrix and HXeBr in a carbon dioxide matrix.
Tsuge Masashi, Berski Sławomir, Stachowski Radosław, Räsänen Markku, Latajka Zdzisław, Khriachtchev Leonid
AIM and BET approach for ionic and covalent bond evolut.ion in reaction of hydrogen elimination from ammonia and lithium hydride
Kalinowski Jarosław, Berski Sławomir, Latajka Zdzisław
AIM and ELF analysis of the H-, Me-, and F-substituted FeIII-TAML complexes.
Mierzwicki Krzysztof, Berski Sławomir, Latajka Zdzisław
Car-Parrinello and path integral molecular dynamics study of the hydrogen bond in the acetic acid dimer in the gas phase.
Durlak Piotr, Berski Sławomir, Latajka Zdzisław
Dynamical nonplanarity of benzene. Evidences from the Car-Parrinello molecular dynamics study.
Shishkin Oleg V., Dopieralski Przemysław, Omelchenko Irina V., Gorb Leonid, Latajka Zdzisław, Leszczyński Jerzy
Electron localization function and electron localizability indicator applied to study the bonding in the peroxynitrous acid HOONO.
Berski Sławomir, Latajka Zdzisław, Gordon Agnieszka J.
Hydration of NaHCO3, KHCO3, (HCO3-)2, HCO3- and CO32- from molecular dynamics simulation and speed of sound measurements.
Dopieralski Przemysław D., Burakowski Andrzej, Latajka Zdzisław, Olovsson Ivar
On the intramolecular hydrogen bond in solution: Car-Parrinello and path integral molecular dynamics perspective.
Dopieralski Przemysław, Perrin C. L., Latajka Zdzisław
On the multiple B-N bonding in boron compounds using the topological analysis of electron localization function (ELF).
Berski Sławomir, Latajka Zdzisław, Gordon Agnieszka J.
Oxygen bound iodine (O-I) : the electron localization function (ELF) study on bonding in cis- and trans-IONO.
Berski Sławomir, Latajka Zdzisław, Gordon Agnieszka J.
Proton transfer dynamics in the propionic acid dimer from path integral molecular dynamics calculations.
Durlak Piotr, Latajka Zdzisław
Reinvestigation of spectroscopic properties for ammonia-hydrogen halide complexes from Car-Parrinello molecular dynamics.
Panek Paweł, Biczysko Małgorzata S., Latajka Zdzisław
Ab initio and quantum chemical topology studies on the isomerization of HONO to HNO2. Effect of the basis set in QCT.
Berski Sławomir, Latajka Zdzisław, Gordon Agnieszka J.
Nature of bonding in substituted polyacetylene: a combined AIM-ELF analysis.
Durlak Piotr, Mierzwicki Krzysztof, Latajka Zdzisław, Ratajczak Henryk
Protocovalent N–O bonding in methyl nitrite (CH3ONO) and ethyl nitrite (C2H5ONO). Topological analysis of the electron localization function (ELF) and electron localizability indicator (ELI-D) functions.
Berski Sławomir, Latajka Zdzisław, Gordon Agnieszka J.
Proton transfer dynamics in crystalline maleic acid from molecular dynamics calculations.
Dopieralski Przemysław D., Latajka Zdzisław, Olovsson Ivar
Proton-transfer dynamics in the (HCO3-)2 dimer of KHCO3 from Car-Parrinello and path-integrals molecular dynamics calculations.
Dopieralski Przemysław D., Latajka Zdzisław, Olovsson Ivar
Quantum chemical topology study on the electronic structure of cis- and trans-FONO.
Berski Sławomir, Latajka Zdzisław, Gordon Agnieszka J.
Rotation around the glycosidic bond as driving force of proton transfer in protonated 2'-deoxyriboadenosine monophosphate (dAMP).
Shishkin Oleg V., Dopieralski Przemysław, Palamarchuk G. V., Latajka Zdzisław
Waldemar Kozuschek : niecodzienne losy lekarza, humanisty, chirurga, uczonego.
Brzeziński T., Kubicz Aleksandra, Latajka Zdzisław, Łazarkiewicz B., Waleczek H.
A Car-Parrinello and path integral molecular dynamics study of the intramolecular lithium bond in the lithium 2-pyridyl-N-oxide acetate.
Durlak Piotr, Latajka Zdzisław, Berski Sławomir
C70 oxides and ozonides and the mechanism of ozonolysis on the fullerene surface. A theoretical study.
Bil Andrzej, Latajka Zdzisław, Morrison Carole A.
DFT studies of H3N–X (X= Li, Na, K, Rb, Cs and Fr) systems.
Wieczorek Robert, Durlak Piotr, Latajka Zdzisław
Fermi resonance and strong anharmonic effects in the absorption spectra of the ν-OH (ν-OD) vibration of solid H–and D-benzoic acid.
Yaremko Anatoly M., Ratajczak Henryk, Barnes Austin J., Baran Jan, Durlak Piotr, Latajka Zdzisław
First-principles investigation of isomerization by proton transfer in β-fumaric acid crystal.
Dopieralski Przemysław, Panek Jarosław, Latajka Zdzisław
Hyperpolarizabilities of some model hydrogen-bonded complexes: PM3 andab initio studies.
Latajka Zdzisław, Gajewski Grzegorz, Barnes Austin J., Xue D., Ratajczak Henryk
Proton distribution in KHCO3 from ab initio molecular dynamics simulation.
Dopieralski Przemysław D., Latajka Zdzisław, Olovsson Ivar
The potential energy shape for the proton motion in protonated naphthalene proton sponges (DMAN-s) and its manifestations.
Latajka Zdzisław, Sobczyk Lucjan
Theoretical study on the polarizability and hyperpolarizability of hydrogen bonded complexes of nitropyridines with hydrogen fluoride.
Dopieralski Przemysław, Panek Jarosław, Mierzwicki Krzysztof, Latajka Zdzisław, Ratajczak Henryk, Barnes Austin J.
Anharmonic interactions and infrared bandshape of the hydrogen bond vibration of potassium hydrogen (deuterium) maleate crystals.
Ratajczak Henryk, Barnes Austin J., Baran Jan, Yaremko Anatoly M., Latajka Zdzisław, Dopieralski Przemysław
Hyperpolarizabilities of hydrogen-bonded complexes of phenol derivatives with ammonia: PM3 andab initio studies.
Latajka Zdzisław, Gajewski Grzegorz, Barnes Austin J., Ratajczak Henryk
The protocovalent N—O bond: quantum chemical topology (QCT of ELF and ELI-D) study on the bonding in the nitrous acid H—O—N=O and its relevancy to the experiment.
Berski Sławomir, Mierzwicki Krzysztof, Bil Andrzej, Latajka Zdzisław
The structure and chemical bonding in the N2—CuX and N2···XCu ( X= F, Cl, Br) systems studied by means of the molecular orbital and quantum chemical topology methods.
Kisowska Karolina, Berski Sławomir, Latajka Zdzisław
Vibrational calculations for the H2O...CO complex.
Lundell Jan, Latajka Zdzisław
Car-Parrinello and path integral molecular dynamics study of the hydrogen bond in the chloroacetic acid dimer system.
Durlak Piotr, Morrison Carole A., Middlemiss D. S., Latajka Zdzisław
Electron localization function (ELF) study on intramolecular delocalization of the electron density in the H2X, H2C=X and XO2 ( X= O, S, Se, Te) molecules: role of the atomic core and lone pair.
Berski Sławomir, Gajewski Grzegorz, Latajka Zdzisław
Hyperpolarizabilities of strongly hydrogen-bonded molecular complexes: PM3 andab initio studies.
Latajka Zdzisław, Gajewski Grzegorz, Barnes Austin J., Ratajczak Henryk
On three-electron bonds and hydrogen bonds in the open-shell complexes. [H2X2]+ for X= F, Cl and Br.
Bil Andrzej, Berski Sławomir, Latajka Zdzisław
Czynniki wpływające na efektywność studiów doktoranckich.
Latajka Zdzisław
Interaction energy decomposition analysis for formic acid complexes with argon and krypton atoms.
Panek Jarosław J., Wawrzyniak Piotr Kornel, Latajka Zdzisław, Lundell Jan
Piękno i funkcjonalność molekuł chemicznych.
Latajka Zdzisław
Quantum chemical study of the hydrogen-bonded HXeOH-H2O complex.
Lundell Jan, Berski Sławomir, Lignell A., Latajka Zdzisław
The hydroperoxy radical as a hydrogen bond acceptor. HOO–HCl complexes—ab initio study.
Bil Andrzej, Latajka Zdzisław
Hydroperoxy radical as hydrogen bond donor : NH3-HOO complex - ab initio and topological study.
Bil Andrzej, Latajka Zdzisław
Molecular modeling study of leflunomide and its active metabolite analogues.
Panek Jarosław, Jezierska Aneta, Mierzwicki Krzysztof, Latajka Zdzisław, Koll Aleksander
Molecular simulations of formic acid.
Lundell Jan, Jolkkonen S., Saarelainen M., Wawrzyniak Piotr Kornel, Panek Jarosław, Latajka Zdzisław
On the nature of bonding in HCOOH...Ar and HCOOH...Kr complexes.
Wawrzyniak Piotr Kornel, Panek Jarosław, Lundell Jan, Latajka Zdzisław
Vibrational dynamics of the hydrogen bonded complexes (CH2)2O–HF and –DF investigated by combined jet- and cell-Fourier transform infrared spectroscopy.
Asselin P., Goubet M., Latajka Zdzisław, Soulard P., Lewerenz M.
A study of the Raman spectra of alkanes in the Fermi-resonance region.
Atamas N.A., Yaremko Anatoly M., Seeger T., Leipertz A., Bieńko Agnieszka, Latajka Zdzisław, Ratajczak Henryk, Barnes Austin J.
Cadmium(II) and nickel(II) complexes of benziporphyrins. A study of weak intramolecular metal-arene interactions.
Stępień Marcin, Latos-Grażyński Lechosław, Szterenberg Ludmiła, Panek Jarosław, Latajka Zdzisław
Dominant role of C-Br···N halogen bond in molecular self-organization. Crystallographic and quantum-chemical study of Schiff-base-containing triazoles.
Berski Sławomir, Ciunik Zbigniew, Drabent Krzysztof, Latajka Zdzisław, Panek Jarosław
Experimental and theoretical study of the photophysics and structures of europium cryptates incorporating 3,3'-bi-isoquinoline-2,2'-dioxide.
Gawryszewska Paula, Malta Oscar L., Longo Ricardo L., Silva F. R. G. e, Alves S., Mierzwicki Krzysztof, Latajka Zdzisław, Pietraszkiewicz M., Legendziewicz Janina
Hydrogin bonding in allene complexes with nitric and nitrous acids: theoretical and infrared matrix isolation study.
Krajewska Magdalena, Latajka Zdzisław, Mielke Zofia, Mierzwicki Krzysztof, Olbert-Majkut Adriana, Sałdyka Magdalena
The hydroperoxy radical and its closed-shell,analoques,: ab initio investigations.
Bil Andrzej, Latajka Zdzisław
Theoretical study of the complex between formic acid and argon.
Wawrzyniak Piotr Kornel, Panek Jarosław, Latajka Zdzisław, Lundell Jan
Theoretical study of the complex between formic acid and argon
Wawrzyniak Piotr Kornel, Panek Jarosław, Latajka Zdzisław, Lundell Jan
Vibrational dynamics of medium strength hydrogen bonds: Fourier transform infrared spectra and band contour analysis of the DF stretching region of (CH2)2 S–DF.
Goubet M., Asselin P., Soulard P., Lewerenz M., Latajka Zdzisław
Ab initio characterization of the xenon dihydride dimer - (HXeH)2.
Lundell Jan, Berski Sławomir, Latajka Zdzisław
Basis set superposition error in N-body clusters.
Mierzwicki Krzysztof, Latajka Zdzisław
Crystal structure and bonding properties of Li2I(OH).
Gajewski Grzegorz, Mierzwicki Krzysztof, Latajka Zdzisław
Hyperpolarizalities of pyridine derivatives and their protonated species:ab initio studies.
Latajka Zdzisław, Gajewski Grzegorz, Ratajczak Henryk, Venturini J.
Low barrier hydrogen bond in protonated proton sponge. X-ray diffraction, infrared, and theoretical ab initio and density functional theory studies.
Bieńko Agnieszka, Latajka Zdzisław, Sawka-Dobrowolska Wanda, Sobczyk Lucjan, Ozeryanskii Valery A., Pozharskii Alexander F., Grech Eugeniusz, Nowicka-Scheibe J.
Structural analysis and sheep pituitary receptor binding of GnRH and its complexes with metal ions.
D'Amelio N., Gaggelli Elena, Gajewska A., Kochman H., Kochman K., Kozłowski Henryk, Latajka Zdzisław, Młynarz Piotr, Panek Jarosław, Valensin Gianni
The first structurally characterized nonorganometallic titanium(III) alkoxo-bridged dinuclear complexes.
Utko Józef, Przybylak Szymon, Jerzykiewicz Lucjan B., Mierzwicki Krzysztof, Latajka Zdzisław, Sobota Piotr
Theoretical study on the structures and vibrational spectra of the H2SO4—(CO2)x (x=1, 2) hydrogen bonded complexes.
Bieńko Agnieszka, Latajka Zdzisław
Accuracy of theoretical potential energy profiles along proton-transfer coordinate for XH-NH3 (X=F, Cl, Br) hydrogen-bonded complexes.
Biczysko Małgorzata S., Latajka Zdzisław
Anharmonic interactions and Fermi resonance in the vibrational spectra of alcohols.
Atamas N.A., Yaremko Anatoly M., Bulavin L. A., Pogorelov V. E., Berski Sławomir, Latajka Zdzisław, Ratajczak Henryk, Abkowicz-Bieńko Agnieszka J.
Density functional studies of 1:1 and 1:2 sulfuric acid complexes with carbon monoxide.
Bieńko Agnieszka, Latajka Zdzisław
Density functional studies of the cobaltous acid dimer-preliminary results.
Gajewski Grzegorz, Latajka Zdzisław, Ratajczak Henryk
DFT calculations of HRgX (Rg = rare gas; X = halogen) molecules.
Panek Jarosław, Latajka Zdzisław, Lundell Jan
Matrix isolation and DFT studies of nitrous acid complexes with nitrogen dioxide.
Olbert-Majkut Adriana, Mielke Zofia, Wieczorek Robert, Latajka Zdzisław
Proton transfer in strongly hydrogen-bonded molecular complexes: matrix effects.
Barnes Austin J., Latajka Zdzisław, Biczysko Małgorzata S.
The nature of the Au-Rg bond in the [AuRg4]2+ (Rg=Ar, Kr and Xe) molecules.
Berski Sławomir, Latajka Zdzisław, Andrés Juan
Density functional studies of hydrogen-bonded systems. II. Solvation of the H2O-CO complex by a nonpolar solvent.
Lundell Jan, Latajka Zdzisław
Electron localization function studies of the nature of binding in neutral rare-gas containing hydrides: HKrCN, HKrNC, HXeCN, HXeNC, HXeOH, and HXeSH.
Berski Sławomir, Latajka Zdzisław, Silvi Bernard, Lundell Jan
Nonadditivity of interaction in Li(NH3)</sub>
Mierzwicki Krzysztof, Latajka Zdzisław
Quantum chemical calculations on FXeSiF.
Lundell Jan, Panek Jarosław, Latajka Zdzisław
Quantum chemical studies Cl-...HNO complex in the singlet and triplet electronic states.
Latajka Zdzisław, Ratajczak Henryk
Structural and vibrational study of a novel nonlinear optical material: 3-nitrobenzoic acid hydrazide.
Ratajczak Henryk, Baran Jan, Barnes Austin J., Barycki J., Debrus S., Latajka Zdzisław, May M., Pietraszko Adam
The nature of binding in HRgY compounds (Rg=Ar, Kr, Xe; Y=F, Cl) based on the topological analysis of the electron localisation function (ELF).
Berski Sławomir, Silvi Bernard, Lundell Jan, Noury S., Latajka Zdzisław
2-(Hydroxyimino)propanohydroxamic acid, a new effective ligand for aluminium.
Gumienna-Kontecka Elżbieta, Berthon Guy, Fritsky Igor O., Wieczorek Robert, Latajka Zdzisław, Kozłowski Henryk
A density functional study of the xenon dihydride-water complex.
Berski Sławomir, Lundell Jan, Latajka Zdzisław
Basis set superposition error in calculations of nonadditive effects in Li(NH3)</sub>
Mierzwicki Krzysztof, Latajka Zdzisław
Density functional studies on the two conformers of 2-fluoro-4,6-dinitrophenol: vibrational assignment based on potential energy distribution.
Abkowicz-Bieńko Agnieszka J., Bieńko Dariusz C., Latajka Zdzisław
Density functional study on phenol derivative-ammonia complexes in the gas phase.
Abkowicz-Bieńko Agnieszka J., Latajka Zdzisław
Dielectric relaxation and molecular conformational energy of some arylazo benzothiazine derivatives.
Kozłowski Mirosław, Kołodziej Hubert A., Wieczorek Robert, Latajka Zdzisław, Jurlewicz A.
Dihydrogen-bonded complexes of xenon dihydride with water: Ab initio calculations and topological analysis of electron localisation function (ELF).
Lundell Jan, Berski Sławomir, Latajka Zdzisław
How the α-hydroxymethylserine residue stabilizes oligopeptide complexes with nickel(II) and copper(II) ions.
Młynarz Piotr, Gaggelli Nicola, Panek Jarosław, Stasiak M., Valensin Gianni, Kowalik-Jankowska Teresa, Leplawy Mirosław T., Latajka Zdzisław, Kozłowski Henryk
Matrix infrared spectra and ab initio calculations of the nitrous acid complexes with nitrogen monoxide.
Mielke Zofia, Latajka Zdzisław, Olbert-Majkut Adriana, Wieczorek Robert
Nature of chemical bonds in MCCH(M=Li, Na, K) based on the topological analysis of electron localisation function (ELF) and electron density.
Mierzwicki Krzysztof, Berski Sławomir, Latajka Zdzisław
Solvent effect on hydrogen bonded ammonia-hydrogen halide complexes: continuum medium versus cluster models.
Abkowicz-Bieńko Agnieszka J., Biczysko Małgorzata S., Latajka Zdzisław
Topological aspects of protonation and hydrogen bonding: the dihydrogen bond case.
Fuster F., Silvi Bernard, Berski Sławomir, Latajka Zdzisław
Ab initio calculations and matrix infrared spectra ot the nitrous acid complexes with HF and HCl.
Latajka Zdzisław, Mielke Zofia, Olbert-Majkut Adriana, Wieczorek Robert, Tokhadze K. G.
Bonding in hypohalous acids HOX (X = F, Cl, Br, and I) from the topological analysis of the electron localization function (ELF).
Berski Sławomir, Silvi Bernard, Latajka Zdzisław, Leszczyński Jerzy
Combined matrix isolation IR spectroscopic and ab initio quantum chemical study of the molecular structure of aminomethylphosphinic acid.
Stepanian S. G., Reva I. D., Radchenko E. D., Latajka Zdzisław, Wierzejewska Maria, Ratajczak Henryk
Critical analysis of the calculated frequency shifts of hydrogen-bonded complexes.
Silvi Bernard, Wieczorek Robert, Latajka Zdzisław, Alikhani M. E., Dkhissi A., Bouteiller Y.
Density functional study of the Xe2H3+ cation.
Lundell Jan, Berski Sławomir, Latajka Zdzisław
Quantum chemical study of the bimolecular complex of HONO.
Wieczorek Robert, Latajka Zdzisław, Lundell Jan
The influence of water molecules on the proton position in H3N-HX (X = F, Cl, Br) complexes.
Biczysko Małgorzata S., Latajka Zdzisław
Theoretical infrared spectrum and revised assignment for para-nitrophenol. Density functional theory studies.
Abkowicz-Bieńko Agnieszka J., Latajka Zdzisław, Bieńko Dariusz C., Michalska D.
Theoretical study of aluminum and gallium atom complexes with CO2, CS2 and COS.
Panek Jarosław, Latajka Zdzisław
Calculation of electronic affinity and vertical detachment energy of the water dimer complex using the density functional theory.
Bouteiller Y., Desfranois C., Schermann J. P., Latajka Zdzisław, Silvi Bernard
Infrared matrix isolation and theoretical studies of SO2-HNO3 and SO2-HONO systems.
Wierzejewska Maria, Mielke Zofia, Wieczorek Robert, Latajka Zdzisław
New aspects of weak C-Hp bonds: intermolecular interactions between alicyclic and aromatic rings in crystals of small compounds, peptides and proteins.
Ciunik Zbigniew, Berski Sławomir, Latajka Zdzisław, Leszczyński Jerzy
On the difference between hydrogen fluoride and hydrogen chloride crystals.
Berski Sławomir, Latajka Zdzisław
Oxygen-bound fluorine (O-F): Ab Initio investigations of the hypofluorous acid dimer.
Berski Sławomir, Lundell Jan, Latajka Zdzisław, Leszczyński Jerzy
Periodic Hartree-Fock studies on (HCl)∞ chain.
Berski Sławomir, Latajka Zdzisław
Density functional study of hydrogen-bonded systems: the water-carbon monoxide complex.
Lundell Jan, Latajka Zdzisław
Direction of protein biosynthesis as a reflection of the prebiotic environment.
Mróz Iwona, Latajka Zdzisław
Generalized relativistic effective core potential: Gaussian expansions of potentials and pseudospinors for atoms Hg through Rn.
Mosyagin N. S., Titov A. V., Latajka Zdzisław
On the role of the basis set and electron correlation in the description of stacking interactions.
Berski Sławomir, Latajka Zdzisław
Periodic Hartree-Fock study of (HF)∞ chain.
Berski Sławomir, Latajka Zdzisław
Reversion of the usual ν(C-H/D) spectral shift of haloforms in some hydrogen-bonded complexes.
Boldeskul I. E., Tsymbal I. F., Ryltsev E. V., Latajka Zdzisław, Barnes Austin J.
Structure, energetics and vibrational spectra of dimers, trimers and tetramers of HX (X = Cl, Br, I).
Latajka Zdzisław, Scheiner Steve
Density functional, Hartree-Fock and MP2 studies on the vibrational spectrum of phenol.
Michalska D., Bieńko Dariusz C., Abkowicz-Bieńko Agnieszka J., Latajka Zdzisław
Density functional study of the H3N-Cl2 system - the importance of Hartree-Fock exchange in density functional methods.
Latajka Zdzisław, Berski Sławomir
Influence of electron correlation effects on calculated properties and vibrational spectra of FF··· NH3 and FCl··· NH3 charge transfer complexes.
Latajka Zdzisław, Scheiner Steve, Bouteiller Y., Ratajczak Henryk
Matrix infrared spectra and ab initio calculations of the nitrous acid complexes with N2 and CO.
Mielke Zofia, Latajka Zdzisław, Kołodziej Joanna, Tokhadze K. G.
Spectroscopic and theoretical studies of the complexs between nitrous acid and ammonia.
Mielke Zofia, Tokhadze K. G., Latajka Zdzisław, Ratajczak E.
Spectroscopic and theoretical studies of the OCO··· HF complex in pressurized gases.
Tokhadze K. G., Uspensky A. I., Mielke Zofia, Latajka Zdzisław, Ratajczak Henryk
Critical assessment of density functional methods for study of proton transfer processes (FHF)-.
Latajka Zdzisław, Bouteiller Y., Scheiner Steve
High-frequency vibrational spectra of hydrated antimony pentoxide.
Ostrovskii D. I., Valakh M. Ya., Karaseva T. A., Latajka Zdzisław, Ratajczak Henryk, Yaremko Anatoly M.
Molecular structure of betaine ab initio study.
Latajka Zdzisław, Ratajczak Henryk
On the structure of the 3B1 excited state of water.
Ventura O. N., Latajka Zdzisław, Ratajczak Henryk, Orville-Thomas W. J.
Site-site function and successive reaction counterpoise calculation of basis setsuperposition error for proton transfer.
Abkowicz-Bieńko Agnieszka J., Latajka Zdzisław, Scheiner Steve, Chalasinski G.
Structure and energetics of SO2-X- (X = F, Cl, Br and I) complexes.
Latajka Zdzisław, Ratajczak Henryk, Wasif S., Salama S. B.
X-ray spectral determination of the effective charges on phosphorus, sulfur, and chlorine atoms in chemical comopunds with a nonempirical charge scale.
Dolenko G. N., Latajka Zdzisław, Ratajczak Henryk
Application of density functional methods for the study of hydrogen-bonded systems: the hydrogen fluoride dimer.
Latajka Zdzisław, Bouteiller Y.
Kinetics and thermochemistry of the reversible gas phase reaction HONO + NH3H3N - HONO studied by infrared diode laser spectroscopy.
Pagsberg P., Ratajczak E., Sillesen A., Latajka Zdzisław
Matrix isolation FTIR and ab initio study of complexes between formic acid and nitrogen.
Lundell Jan, Räsänen Markku, Latajka Zdzisław
New theoretical interpretation of acetone - FX (X =H, D) infrared spectrum in the gas phase.
Bouteiller Y., Latajka Zdzisław
On the role of bond functions in accurate description of hydrogen-bonded systems hydrogen fluoride dimer.
Latajka Zdzisław, Ratajczak Henryk
The dimerization shift of the OH-stretching fundamentals of the water dimer.
Ventura O. N., Irving K., Latajka Zdzisław
Theoretical study of the H2O-2CO hydrogen-bonded ternary complexes.
Lundell Jan, Räsänen Markku, Latajka Zdzisław
Complexes between formic acid and carbon monoxide : an ab initio investigation.
Lundell Jan, Räsänen Markku, Latajka Zdzisław
Density functional theory applied to proton-transfer systems : a numerical test.
Mijoule C., Latajka Zdzisław, Borgis D.
Pseudopotential periodic hartree-fock investigation of potassium dihydrogen phosphate.
Silvi Bernard, Latajka Zdzisław, Ratajczak Henryk
Symetrie wirusów.
Latajka Zdzisław
Ab initio study proton transfer between methylnitroamine and trimethylamine.
Bouteiller Y., Sadi S., Latajka Zdzisław, Ratajczak Henryk
Basis set superposition error in proton transfer potentials.
Latajka Zdzisław, Schenker S., Chalasinski G.
Proton transfer in the ground and first excited triplet states of malonaidehyde.
Latajka Zdzisław, Scheiner Steve
The proton position in amine - HX (X= Br, I) complexes.
Latajka Zdzisław, Scheiner Steve, Ratajczak Henryk
Theoretical interpreation of acetone-HF infrared spectrum in the gas phase.
Bouteiller Y., Latajka Zdzisław
Theoretical vibrational study of FX…NH3 ( X = H, D, Li) complexes.
Bouteiller Y., Latajka Zdzisław, Ratajczak Henryk, Scheiner Steve
Ab initio calculation of the inversion barrier in the trichloromethyl radical.
Moc Jerzy, Rudziński Jerzy M., Latajka Zdzisław, Ratajczak Henryk
Basis set superposition errors and counterpoise corrections for some basis sets evaluated for a few X-···M dimers.
Alagona G., Ghio C., Latajka Zdzisław, Tomasi J.
Correlation between interaction energy and shift of the carbonyl stretching frequency.
Latajka Zdzisław, Scheiner Steve
Structure, energetics and vibrational spectrum of H3N··HOH.
Latajka Zdzisław, Scheiner Steve
Ab initio study of interactions between methanol and nitrogen or carbon monoxide.
Latajka Zdzisław, Ratajczak Henryk, Murto J., Orville-Thomas W. J.
Dissection of basis set superposition error at SCF and correlated levels : HF dimer.
Latajka Zdzisław, Scheiner Steve
On the reliability of SCF ab initio calculations of vibrational frequencies and intensities of hydrogen-bonded systems.
Latajka Zdzisław, Ratajczak Henryk, Person W. B.
Structures and energies of the lithiated silanes.
Moc Jerzy, Latajka Zdzisław, Rudziński Jerzy M., Ratajczak Henryk, Szczęśniak Maria M.
The potential energy surface and equilibrium geometry of Ar··PH3.
Latajka Zdzisław, Scheiner Steve
