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Journal of Physical Chemistry B
Tytuł skrócony
J. Phys. Chem. B.
ISSN
1520-6106
eISSN
1520-5207
Adres internetowy
http://pubs.acs.org/journal/jpcbfk
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Publikacje z czasopisma
From Theory to Practice: Advanced Nonlinear Optics and Multicolor, Tunable Fluorescence of Acedan Dyes
Szukalska Alina, Grabarz Anna, Potaniec Bartłomiej, Zdończyk Maria, Popczyk Anna, Waszkowska Karolina, El Karout Houda, Cybińska Joanna, Sahraoui Bouchta, Myśliwiec Jarosław
IR spectra of crystalline nucleobases : combination of periodic harmonic calculations with anharmonic corrections based on finite models.
Beć Krzysztof B., Grabska Justyna, Czarnecki Mirosław A., Huck Christian W., Wójcik Marek Janusz, Nakajima Takahito, Ozaki Yukihiro
NIR spectra simulations by anharmonic DFT-saturated and unsaturated long-chain fatty acids.
Grabska Justyna, Beć Krzysztof B., Ishigaki Mika, Huck Christian W., Ozaki Yukihiro
Identification of Serine Conformers by Matrix-Isolation IR Spectroscopy Aided by Near-Infrared Laser-Induced Conformational Change, 2D Correlation Analysis, and Quantum Mechanical Anharmonic Computations
Najbauer Eszter E., Bazsó Gábor, Apóstolo Rui, Fausto Rui, Biczysko Małgorzata, Barone Vincenzo, Tarczay György
Solvatochromism of BODIPY-Schiff dye.
Filarowski Aleksander, Lopatkova Marina, Lipkowski Paweł, Van der Auweraer Mark, Leen Volker, Dehaen Wim
Conformational properties of oxazole-amino acids: effect of the intramolecular N-H···N hydrogen bond.
Siodłak D., Staś Monika, Broda Małgorzata, Bujak M., Lis Tadeusz
Interaction of lanthanide β diketonate complexes with polyvinylpyrrolidone: proton-controlled switching of Tb3+ luminescence.
Karbowiak Mirosław, Cichos Jakub, Buczko Katarzyna A.
Phase separation in phosphatidylcholine membrane caused by the presence of a pyrimidine analogue of fluphenazine with high anti-multidrug-resistance activity.
Cieślik-Boczula Katarzyna, Świątek Piotr, Jaszczyszyn Agata, Zawilska Patrycja, Gąsiorowski Kazimierz, Malinka Wiesław, Köhler Gottfried
Shift of the critical mixing temperature in strong electric fields. Theory and experiment.
Orzechowski Kazimierz, Adamczyk Mariusz, Wolny Alicja, Tsori Yoav
FT-IR and two-dimensional correlation analysis of the liquid crystalline phase transitions in the 4-bromobenzylidene-4'-alkyloxyanilines.
Osiecka Natalia, Czarnecki Mirosław A., Galewski Zbigniew, Massalska-Arodź Maria
Influence of environmental humidity on organization and molecular dynamics of heteromacrocyclic assemblies.
Paluch Piotr, Kaźmierski Sławomir, Jeziorna Agata, Sniechowska Justyna, Dabrowa Kajetan, Panek Jarosław J., Jezierska-Mazzarello Aneta, Jurczak Janusz, Potrzebowski Marek J.
Interaction of piperidin derivative of Mannich base with DPPC liposomes.
Cieślik-Boczula Katarzyna, Petrus Rafał M., Köhler Gottfried, Lis Tadeusz, Koll Aleksander
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
Electric permittivity anomaly close to the critical consolute point of a nitrobenzene + octane liquid mixture.
Orzechowski Kazimierz, Kosmowska Magdalena, Adamczyk Mariusz
Experimental and theoretical approach to aggregation behavior of new di-N-oxide surfactants in an aquatic environment.
Lewińska Agnieszka, Witwicki Maciej, Frąckowiak Renata, Jezierski Adam, Wilk Kazimiera A.
Peculiarity of aqueous solutions of 2,2,2-trifluoroethanol.
Burakowski Andrzej, Gliński Jacek, Czarnik-Matusewicz Bogusława, Kwoka Paulina, Baranowski Andrzej, Jerie Kazimierz, Pfeiffer Helge, Chatziathanasiou Nikos
Ultraviolet-tunable laser induced phototransformations of matrix isolated isoeugenol and eugenol.
Krupa Justyna, Olbert-Majkut Adriana, Reva I. D., Fausto Rui, Wierzejewska Maria
Correlation between structure and shape of the polarized infrared absorption spectra of 4-chloro-2'-hydroxy-4'-alkoxyazobenzenes.
Majewska Paulina, Rospenk Maria, Czarnik-Matusewicz Bogusława, Sobczyk Lucjan
Impact of micelle ionic electrical double layer structure on the excited state protolytic reaction in the fluorescent probe bound to the colloidal nanoparticles.
Jankowski Andrzej, Wiśniewski Łukasz, Jankowski Adam, Kluczyk Alicja, Chmielewski Piotr J., Szemik-Hojniak Anna
Hydration of amino acids from ultrasonic measurements.
Burakowski Andrzej, Gliński Jacek
Magnetic Properties of Nitroxide Spin Probes: Reliable Account of Molecular Motions and Nonspecific Solvent Effects by Time-Dependent and Time-Independent Approaches
Pavone Michele, Biczysko Małgorzata, Rega Nadia, Barone Vincenzo
Molecular property investigations of anortho-hydroxy Schiff base type compound with the first-principle molecular dynamics approach.
Jezierska-Mazzarello Aneta, Vuilleumier R., Panek Jarosław J., Ciccotti G.
Structure of aggregates of dialkyl urea derivatives in solutions.
Obrzud Monika H., Rospenk Maria, Koll Aleksander
A study of urea-dependent denaturation of β-lactoglobulin by principal component analysis and two-dimensional correlation spectroscopy.
Czarnik-Matusewicz Bogusława, Kim S. B., Jung Young Mee
Interactions of dihydrochloride fluphenazine with DPPC liposomes: ATR-IR and 31P NMR studies.
Cieślik-Boczula Katarzyna, Szwed Joanna, Jaszczyszyn Agata, Gąsiorowski Kazimierz, Koll Aleksander
Molecular dynamics study of the Cu2+ binding-induced "structuring" of the N-terminal domain of human prion protein.
Valensin Gianni, Molteni E., Valensin Daniela, Taraszkiewicz Magdalena P., Kozłowski Henryk
Amide I vibrational frequencies of α-helical peptides based upon ONIOM and density functional theory (DFT) studies.
Wieczorek Robert, Dannenberg J. J.
NMR studies of the Zn2+ interactions with rat and human β-amyloid (1-28) peptides in water-micelle environment.
Gaggelli Elena, Janicka-Kłos Anna, Jankowska Elżbieta, Kozłowski Henryk, Migliorini Caterina, Molteni E., Valensin Daniela, Valensin Gianni, Wieczerzak E.
Structural characterization of the intra- and inter-repeat copper binding modes within the N-terminal region of "prion related protein" (PrP-rel-2) of zebrafish.
Gaggelli Elena, Jankowska Elżbieta, Kozłowski Henryk, Marcinkowska A., Migliorini Caterina, Stańczak Paweł, Valensin Daniela, Valensin Gianni
Car-Parrinello molecular dynamics study of anharmonic systems: a Mannich base in solution.
Jezierska Aneta, Panek Jarosław, Borštnik U., Mavri J., Janežič D.
Direct calculation oftranshydrogen-bond 13C-15N 3-bond J-couplings in entire polyalanine α-helices. A density functional theory study.
Salvador Pedro, Wieczorek Robert, Dannenberg J. J.
Theoretical and experimental studies of enflurane. Infrared spectra in solution, in low-temperature argon matrix and blue shifts resulting from dimerization.
Michalska D., Bieńko Dariusz C., Czarnik-Matusewicz Bogusława, Wierzejewska Maria, Sandorfy C., Zeegers-Huyskens Th.
Predicting Catalysis: Understanding Ammonia Synthesis from First-Principles Calculations
Hellman A., Baerends E. J., Biczysko Małgorzata, Bligaard T., Christensen C. H., Clary David C., Dahl S., van Harrevelt R., Honkala K., Jonsson H., Kroes G. J., Luppi M., Manthe U., Nørskov J. K., Olsen R. A., Rossmeisl J., Skúlason E., Tautermann C. S., Varandas A. J. C., Vincent J. K.
Computational Study of the Adsorption Energetics and Vibrational Wavenumbers of NH3 Adsorbed on the Ni(111) Surface
Kurten Theo, Biczysko Małgorzata, Rajamäki Timo, Laasonen Kari, Halonen Lauri
Dielectric dispersion in water + 2-hydroxypyridine solid mixtures.
Szala Agnieszka, Orzechowski Kazimierz
Electronic structure of U3+ in Cs3Lu2Cl9 and Cs3Y2I9 single crystals.
Karbowiak Mirosław, Mech A., Drożdżyński Janusz, Ryba-Romanowski Witold, Reid M. F.
Analysis of the absorption and emission spectra U3+ in CsCdBr3 single crystal.
Karbowiak Mirosław, Drożdżyński Janusz, Edelstein Norman M., Hubert Stéphani Schmitt
Characterization of concentration-dependent infrared spectral variations of urea aqueous solutions by principal component analysis and two-dimensional correlation spectroscopy.
Jung Young Mee, Czarnik-Matusewicz Bogusława, Kim S. B.
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
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
Spectroscopic properties of Lu2O3/Eu3+ nanocrystalline powders and sintered ceramics.
Zych Eugeniusz, Hreniak Dariusz, Stręk Wiesław
The effect of excited state energy transfer on the circularly polarized luminescence from sol-gels containing racemic complexes of Eu(III): theory and experiment.
Sokolnicki Jerzy, Legendziewicz Janina, Riehl James P.
Two-dimensional/attenuated total reflection infrared correlation spectroscopy studies on secondary structural changes in human serum albumin in aqueous solutions: pH-dependent structural changes in the secondary structures and in the hydrogen bondings of side chains.
Murayama K., Wu Yuqing, Czarnik-Matusewicz Bogusława, Ozaki Yukihiro
Two-dimensional attenuated total reflection/infrared correlation spectroscopy of adsorption-induced and concentration-dependent spectral variations of β-lactoglobulin in aqueous solutions.
Czarnik-Matusewicz Bogusława, Murayama K., Wu Yuqing, Ozaki Yukihiro
Two-dimensional infrared , two-dimensional Raman, and two-dimensional infrared and Raman heterospectral correlation studies of secondary structure of β-lactoglobulin in buffer solutions.
Jung Young Mee, Czarnik-Matusewicz Bogusława, Ozaki Yukihiro
Two-dimensional near-infrared spectroscopy study of human serum albumin in aqueous solutions : using overtones and combination modes to monitor temperature - dependent changes in the secondary structure.
Wu Yuqing, Czarnik-Matusewicz Bogusława, Murayama K., Ozaki Yukihiro
Reorientation of nematic liquid-crystals and liquid-crystalline polymers in an electric field studied by FT-IR time-resolved spectroscopy and 2D-correlation analysis.
Czarnecki Mirosław A., Okretic S., Siesler H. W.