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1
Content available remote Zarys dziejów chemii fizycznej w Uniwersytecie Warszawskim po drugiej wojnie światowej
Koczorowski Z., Sadlej J.
Kwartalnik Historii Nauki i Techniki
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2016
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R. 61, nr 4
165--198
EN
The work shortly describes scientific, teaching, and organisational activity of the Chair of Chemistry and then of the Division of Physical Chemistry during after-war period. Presentation is made in five short chapters, covering periods defined by substantial and characteristic processes in our country, resulting in changes in the organisation and work of the Faculty of Chemistry at the University of Warsaw. The first two chapters concern the Chair of Physical Chemistry at the Faculty of Mathematical and Natural Science in the years 1947–1955. The Department of Chemistry was founded in the 1955. The next three chapters describe the activity of the Division of Physical Chemistry in the years 1968–1989, 1990–2005, and 2005–2016 respectively. The work also contains a register, probably incomplete, of employees with university degree, who were employed at the Chair and then at the Division of Physical Chemistry during 61-year period of the activity of the Faculty, i.e. in the years 1955-2016.
2
Content available Clathrate hydrates — efficient and clean energy resource
Siuda P., Sadlej J.
Challenges of Modern Technology
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2011
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Vol. 2, no. 4
49--53
EN
Clathrate hydrates are icelike structures in which water molecules form cavities enclathrating many possible types of guest molecules. Among most important representatives of this group of solid structures are methane and carbon dioxide clathrate hydrates. The first one is widely present in Nature and in the future will serve as an energy resource. Carbon dioxide clathrate hydrate may on the other hand serve as a storage reservoir for this green house gas providing cheap way to lower its emission to atmosphere. Those are just two of many more important issues that catalyse growing interest of scientific world in clathrate hydrates. Characterisation of their properties is crucial to develop technologies, that will enable us to utilize their manifold possible applications. During this presentation I will discuss some of my investigations concerning NMR properties of clathrate hydrates.
3
On the Nature of the Interaction in Ternary Water-Sulfur Dioxide Complexes
Cukras J., Sadlej J.
Polish Journal of Chemistry
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2008
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Vol. 82, nr 4
675-685
EN
The interpretation of the intermolecular interaction energy in the ternary 2:1 and 1:2 trimers has been done. The decomposition of the total interaction energy using two- and three-body symmetry-adapted perturbation theory (SAPT) providing physically meaningful components: electrostatic, induction, dispersion and exchange terms was applied. Four (H2O)2źźźSO2 and two H2Oźźź(SO2)2 trimers were analyzed. We compared the contribution of the sandwich-type pair with the contribution of the hydrogen-bonded pairs to the total interaction energy of the trimer. The assumption of pairwise additivity of the interaction in the ternary mixed trimers is not correct. The three-body nonadditivity terms represent as large as ca. 18% of the total interaction energy.
4
Content available remote Pół wieku chemii fizycznej na Wydziale Chemii Uniwersytetu Warszawskiego
Koczorowski Z., Sadlej J.
Wiadomości Chemiczne
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2007
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[Z] 61, 9-10
785-802
EN
The history of the physical chemistry at the Faculty of Chemistry of the Warsaw University in XXth century, with main attention to its second part is presented. The organizational, scientific and teaching aspects are discussed. The list of che-mists, who have been working in the past and who are currently working in physical chemistry is attached.
5
The Properties of the Dihydrogen-Bonded Dimer (BH3NH3)2
Cybulski H., Sadlej J.
Polish Journal of Chemistry
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2007
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Vol. 81, nr 5-6
683-697
EN
The energetic and spectroscopic properties of the dihydrogen-bonded dimer (BH3NH3)2 with the B–H bonds as proton acceptors and the N–H bonds as proton donors were calculated by means of the second-orderMller-Plesset perturbation theory and density functional theory methods. The C2h head-to-tail structure with four equivalent dihydrogen bonds was found to be the most stable one. The symmetry-adapted perturbation theory calculations showed that (BH3NH3)2 dimer is bonded by electrostatic-induction-dispersion interactions and the interaction energy decomposition is comparable with this calculated for water dimer. The protons acting as proton donors are deshielded while the protons acting as proton acceptors are shielded upon dimer formation. The one-bond dihydrogen-bond transmitted proton-proton coupling constant has a noticeable value of 1.9 Hz. Among the three-bond dihydrogen-bond transmitted reduced coupling constants the largest one is the coupling between nitrogen and boron nuclei with a value of 5.6.10 19.T2.J -1.
6
Water cage clusters (H2O)n, from n=6 to 12: do they model liquid water?
Sadlej J., Buch V.
Bulletin of the Polish Academy of Sciences. Chemistry
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2002
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Vol. 50, No. 4
403-422
EN
The optimal structures, the interaction energies, the OH stretch and HOH bending frequencies of water cage clusters (H(2)O)n, n = 6-12 have been investigated by ab initio method (MP2/DZ level). The clusters correspond to the relatively regular cage structures characterized by distinct groups of O...O bond lengths and HOH angles. As a result, the OH stretch spectrum contains well separated DAA and DDA bands red-shifted by hundreds of cm(-1) with respect to water monomer and a third band for the dangling OH at the "crystal like" clusters. The "amorphous like" clusters yield numerous hydrogen bonded bands in a broad spectral range. The new spectral feature in the gap between DDA and DAA bands at the OH stretch region is the presence of the new lines due to four-coordinated DDA A water molecules for (H(2)O)(12) cluster. In contrast to the OH stretch, the vibrational bending frequencies are blue-shifted by 40-170 cm (-1) with respect to H(2)O(g). Features due to different structural elements were identified.
7
Content available remote Kronika
Jancewicz B., Sadlej J., Chałasińska-Macukow K., Strzałkowski A., Krawczyk A.
Postępy Fizyki
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2001
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T. 52, z. 2
107-110
PL
PTF: Oddział Wrocławski. Nominacje profesorskie. Nagroda FNP 2000. Akredytacja kierunku fizyka. W stulecie urodzin Profesora Henryka Niewodniczańskiego. Instytut Nanoukładów. Konkurs na zastosowania elektromagnetyzmu. Biologia z fizyką w NASA.
8
Content available remote Kronika
Strzałkowski I., Maziewski A., Czajka R., Dietl T., Sadlej J.
Postępy Fizyki
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1999
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T. 50, z. 1
47-53
PL
PTF: Zmiana w Zarządzie Głównym, PTF wobec projektów reformy systemu edukacji, Oddział Białostocki, Oddział Poznański. Nominacje profesorskie. Nagrody FNP. Nagroda Nobla z fizyki. Nagroda Nobla z chemii. 50 lat optyki stosowanej. Nowe źródło spójnego promieniowania. Projekt Rubbii nowego napędu rakiet. Petawatt. Faraday kontra komórki. Piknik Naukowy w Warszawie po raz drugi.
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