Zobrazeno 1 - 5
of 5
pro vyhledávání: '"Jan K. Kazimirski"'
Autor:
Jan K. Kazimirski, Victoria Buch
Publikováno v:
The Journal of Physical Chemistry A. 107:9762-9775
A search for low energy structures of water clusters was performed with a combination of three computational tools: (a) temperature-dependent classical trajectories; (b) hydrogen network improvement; (c) rigid body diffusion Monte Carlo calculation o
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::77008b7c714a3afe9931d413ad0e320c
https://doi.org/10.1021/jp0305436
https://doi.org/10.1021/jp0305436
Autor:
Jerzy Polaczek, Jan K. Kazimirski, Jan Cz. Dobrowolski, Zygmunt Lisicki, Andrzej M. Szafrański, Małgorzata E. Jamróz
Publikováno v:
The Journal of Chemical Thermodynamics. 33:565-579
(Carbazole + tert -amide) systems were investigated through measurement of (solid + liquid) equilibria (s.l.e.), i.r. study, and semi-empirical calculations. The s.l.e. studies included three systems, namely (carbazole + tetramethylurea, orN , N - di
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::5b0ee09897ff67107087ab8940c03812
https://doi.org/10.1006/jcht.2000.0770
https://doi.org/10.1006/jcht.2000.0770
Autor:
Joelle Mascetti, Jan K. Kazimirski, Eugenio Quaranta, Michele Aresta, Michał H. Jamróz, Marek A. Borowiak, Jan Cz. Dobrowolski, Immacolata Tommasi, Krzysztof Bajdor
Publikováno v:
Journal of Molecular Catalysis A: Chemical. 165:45-54
The reaction of CO2 with ( 2 -dioxygen)-transition metal complexes to give peroxocarbonates has been modelled using the Impulse Oscillation Model (IOM). 1 In accordance with our experimental findings concerning the reactivity of P 3ClRh( 2 -O2) (P D
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::e3825e9b14bb2b5e3c114b2a7a4b27ae
https://doi.org/10.1016/s1381-1169(00)00428-3
https://doi.org/10.1016/s1381-1169(00)00428-3
Publikováno v:
The Journal of Chemical Physics. 110:10649-10652
The vibrational OH stretch spectra have been measured for the size-selected pure water clusters (H2O)7. In contrast to (H2O)n, n=8–10 clusters, which exhibit three distinct bands corresponding to three distinct types of OH bonds, the heptamer spect
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::edc66c6edbec4e464ea36251422ab4d1
https://doi.org/10.1063/1.479008
https://doi.org/10.1063/1.479008
Autor:
Jan K. Kazimirski, Ragnar Larsson, Jan Cz. Dobrowolski, Marek A. Borowiak, Krzysztof Bajdor, Michał H. Jamróz
Publikováno v:
Journal of Molecular Structure. :183-187
The IR spectrum of the most stable diformate anion was calculated at the MP2/6-311++G(3df, 3pd), RHF/6-311++G**, and B3PW91/6-311++G** levels. The internal coordinates were defined for the diformate anion and used in potential energy distribution (PE
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::f08ce5c28e9cd6ed07c4a5f6cf8fe022
https://doi.org/10.1016/s0022-2860(98)00782-0
https://doi.org/10.1016/s0022-2860(98)00782-0