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Journal of Chemical Physics
Tytuł skrócony
J. Chem. Phys.
ISSN
0021-9606
eISSN
1089-7690
Adres internetowy
http://scitation.aip.org/content/aip/journal/jcp
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Publikacje z czasopisma
1H NMR relaxometry and quadrupole relaxation enhancement as a sensitive probe of dynamical properties of solids—[C(NH2)3]3Bi2I9 as an example.
Florek-Wojciechowska M., Wojciechowski M., Jakubas Ryszard, Brym Szczepan, Kruk Danuta
Dynamics of [C3H5N2]6[Bi4Br18] by means of 1H NMR relaxometry and quadrupole relaxation enhancement.
Masierak Włodzimierz, Florek-Wojciechowska M., Oglodek I., Jakubas Ryszard, Privalov A. F., Kresse B., Fujara F., Kruk Danuta
Molecular reorganization of selected quinoline derivatives in the ground and excited states—Investigations via static DFT.
Błaziak Kacper, Panek Jarosław J., Jezierska Aneta
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
UV-tunable laser induced phototransformations of matrix isolated anethole.
Krupa Justyna, Wierzejewska Maria, Nunes Cláudio M., Fausto Rui
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
Impact of proton transfer phenomena on the electronic structure of model Schiff bases: an AIM/NBO/ELF study.
Panek Jarosław J., Filarowski Aleksander, Jezierska-Mazzarello Aneta
Photochromic cycle of 2'-hydroxyacetophenone azine studied by absorption and emission spectroscopy in different solvents.
Filipczak Katarzyna, Karolczak Jerzy, Lipkowski Paweł, Filarowski Aleksander, Ziółek Marcin
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.
Raman spectroscopy and crystal-field split rotational states of photoproducts CO and H2 after dissociation of formaldehyde in solid argon.
Lindgren Johan, Olbert-Majkut Adriana, Pettersson Mika, Kiljunen Toni
4,4'-, 5,5'-, and 6,6'-dimethyl-2,2'-bipyridyls: the structures, phase transitions, vibrations, and methyl group tunneling of their complexes with chloranilic acid.
Bator Grażyna , Sawka-Dobrowolska Wanda, Sobczyk Lucjan, Grech Eugeniusz, Nowicka-Scheibe J., Pawlukojć Andrzej, Wuttke J., Baran Jan, Owczarek Magdalena T.
Direct observation of the substitution effects on the hydrogen bridge dynamics in selected Schiff bases—A comparative molecular dynamics study.
Jezierska-Mazzarello Aneta, Panek Jarosław J., Vuilleumier R., Koll Aleksander, Ciccotti G.
Compressibility of aqueous solutions of nonelectrolytes:an equilibrium model.
Gliński Jacek, Burakowski Andrzej
Quantum chemical topology study on the electronic structure of cis- and trans-FONO.
Berski Sławomir, Latajka Zdzisław, Gordon Agnieszka J.
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
First-principles investigation of isomerization by proton transfer in β-fumaric acid crystal.
Dopieralski Przemysław, Panek Jarosław, Latajka Zdzisław
The structure of diaminodurene and the dynamics of the methyl groups.
Sobczyk Lucjan, Prager M., Sawka-Dobrowolska Wanda, Bator Grażyna , Pawlukojć Andrzej, Grech Eugeniusz, Van Eijck L., Ivanov A., Rols S., Wuttke J., Unruh T.
Investigating isomerization reactions in solid state by using simultaneous high overtone pumping and Raman detection.
Olbert-Majkut Adriana, Ahokas Jussi M. E., Lundell Jan, Pettersson Mika
Structural and spectroscopic properties of an aliphatic boronic acid studied by combination of experimental and theoretical methods.
Cyrański Michał K., Jezierska Aneta, Klimentowska P., Panek Jarosław J., Żukowska G. Z., Sporzyński A.
The structure, methyl rotation reflected in inelastic and quasielastic neutron scattering and vibrational spectra of 1,2,3,5-tetramethoxybenzene and its 2:1 complex with 1,2,4,5-tetracyanobenzene.
Pawlukojć Andrzej, Prager M., Sawka-Dobrowolska Wanda, Bator Grażyna , Sobczyk Lucjan, Ivanov A., Rois S., Grech Eugeniusz, Nowicka-Scheibe J., Unruh T.
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
Car-Parrinello simulation of an O-H stretching envelope and potential of mean force of an intramolecular hydrogen bonded system: application to a Mannich base in solid state and in vacuum.
Jezierska Aneta, Panek Jarosław J., Koll Aleksander, Mavri J.
The 5f2→5f16d1 absorption spectrum of Cs2GeF6:U4+ crystals: a quantum chemical and experimental study.
Ordejón B, Karbowiak Mirosław, Seijo Luis, Barandiarán Zoila
X-ray diffraction and inelastic neutron scattering study of 1:1 tetramethylpyrazine chloranilic acid complex: temperature, isotope, and pressure effects.
Prager M., Pietraszko Adam, Sobczyk Lucjan, Pawlukojć Andrzej, Grech Eugeniusz, Seydel T., Wischnewski A., Zamponi Michaela
Elastic, quasielastic, and inelastic neutron-scattering studies on the charge-transfer hexamethylbenzene-tetracyanoquinodimethane complex.
Sawka-Dobrowolska Wanda, Bator Grażyna , Sobczyk Lucjan, Pawlukojć Andrzej, Ptasiewicz-Bąk H., Rundlöf H., Krawczyk Józef, Nowina-Konopka M., Jagielski P., Janik J. A., Prager M., Steinsvoll O., Grech Eugeniusz, Nowicka-Scheibe J.
Neutral and zwitterionic glycine. H2O complexes: a theoretical and matrix-isolation Fourier transform infrared study.
Ramaekers R., Pająk Joanna, Lambie B., Maes G.
Sound attenuation, shear viscosity, and mutual diffusivity behavior in the nitroethane-cyclohexane critical mixture.
Behrends R., Iwanowski I., Kosmowska Magdalena, Szala Agnieszka, Kaatze U.
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
Complex formation in binary propionic acid-triethylamine mixtures: a dielectric relaxation and titration atudy.
Orzechowski Kazimierz, Pajdowska Maria, Fuchs K., Kaatze U.
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.
Photolysis of the OC···HONO complex in low temperature matrices: infrared detection and ab initio calculations of nitrosoformic acid, HOC(O)NO.
Mielke Zofia, Olbert-Majkut Adriana, Tokhadze K. G.
Spectrum analysis, correlation crystal-field effects and f - f transition intensities of U3+ in LaCl3.
Karbowiak Mirosław, Drożdżyński Janusz, Sobczyk Marcin
State-to-state photodissociation of OCS(ν2=0,1|JIM). I. The angular recoil distribution of CO (X1Σ+ ; v=0|J).
Van den Brom A. J., Rakitzis T. P., Van Heyst J., Kitsopoulos T. N., Jezowski Sebastian R., Janssen M. H. M.
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
Ferroelectric properties of (C5H5NH)5BI2Br11.
Jóźków Jolanta, Jakubas Ryszard, Bator Grażyna , Pietraszko Adam
Surface properties of diluted aqueous solutions of solutes containing isopropyl hydrophobic group.
Gliński Jacek, Chavepeyer G., Platten J. K.
A theoretical study of the reaction of Ti+ with ethane.
Moc Jerzy, Fedorov D. G., Gordon M. S.
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
Critical analysis of the calculated frequency shifts of hydrogen-bonded complexes.
Silvi Bernard, Wieczorek Robert, Latajka Zdzisław, Alikhani M. E., Dkhissi A., Bouteiller Y.
Surface properties of diluted aqueous solutions of 1,2-pentanediol.
Gliński Jacek, Chavepeyer G., Platten J. K.
Analysis of absorption and luminescence spectra of U3+ doped Cs2NaYCl6 and Cs2LiYCl6 single crystals.
Karbowiak Mirosław, Drożdżyński Janusz, Hubert Stéphani Schmitt, Simoni E., Stręk Wiesław
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
Laser spectroscopy and crystal field analysis of Cm3+ diluted in Cs2NaYCl6.
Murdoch K. M., Cavellec R., Simoni E., Karbowiak Mirosław, Hubert Stéphani Schmitt, Illemassene M., Edelstein Norman M.
Surface properties of diluted aqueous solutions of normal short-chained alcohols.
Gliński Jacek, Chavepeyer G., Platten J. K., Smet Philippe F.
Spectroscopic studies and crystal-field analysis of U3+ ions in RbY2C17 single crystals.
Karbowiak Mirosław, Drożdżyński Janusz, Murdoch K. M., Edelstein Norman M., Hubert Stéphani Schmitt
Surface properties of diluted aqeous solutions of normal propyl alcohol.
Gliński Jacek, Chavepeyer G., Platten J. K.
Surface properties of diluted aqueous solutions of tert-butyl alcohol.
Gliński Jacek, Chavepeyer G., Platten J. K.
Application of density functional methods for the study of hydrogen-bonded systems: the hydrogen fluoride dimer.
Latajka Zdzisław, Bouteiller Y.
About origin of Q component on the vibration-rotation band of HF in simple solvents.
Tokhadze K. G., Mielke Zofia
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
