CHEMIA KWANTOWA PIELA PDF

Title, Idee chemii kwantowej. Author, Lucjan Piela. Publisher, Wydawnictwo Naukowe PWN, ISBN, , Length, pages . Autorzy, Piela, L. Treść / Zawartość. Piela. Uniwersytet Warszawski, Pracownia Chemi Kwantowej ul. Pasteura 1, Warszawa, [email protected] Lucjan Piela Naukowe PWN, Poland from “ Idee chemii kwantowej”, © PWN, ✶ the postal stamps of several countries have been used (Austria pp. 30,

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Letters 77, M. Main scientific activity of Professor Piela is focused in three domains: S 22, J. The key step was using the multipole expansion, and then sum up exactly the appearing multipole-multipole contributions.

This leads to identifying the parameter t as time even for mathematical functions to be minimised with no relation to physics or chemistry. He pielq interested in this subject in the late s and his first calculation of the fusion rate was published in a paper co-authored by Clemens Roothaan and Robert Sack.

S14, J. Letters 15, L. His research topic was the influence of hindered rotation on neutron scattering off small organic molecules.

This is why predicting the lowest-energy conformation or configuration represents a formidable task. The obtained modified multipole expansion gave results invariant also with respect to the arbitrary choice of the unit cell.

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Piela Delta 3, 16 L. TheochemR. Only the corrected – not the original one – multipole procedure possesses this property. The deformed function is much smoother than the original one.

Idee chemii kwantowej

The most widely known DEM method with the deformation parameter t often kwantoowa up at a simple analytical formula for the deformed function. The states would result from a cooperative effect of successive electron transfers from several electron donor to electron acceptor moieties of the molecule.

USA, 90, His early papers on the correlation of electronic motion in the ethylene and benzene molecules contained important ideas on this subject, later developed further by himself and others. Piela with his collaborators explained this phenomenon by showing why the gap plays so critical role in the range of exchange interaction [L.

Quantum Chemistry Laboratory

His achievements were widely recognized by the scientific community. In fact all of these attempts based on some smoothing of the energy landscape. The multipole expansion has been used in the intermolecular inter action theory, but Piela applied it for the first time to a single molecule.

Professor Piela has shown that all equations that emerge in the global optimisation procedures based on these phenomena are particular cases of a more general mathematical scheme [L. He is missed very much not only as a scientific and moral authority, piels also for his wonderful personality and warmth. Bruxelles 92, J.

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Idee chemii kwantowej – Lucjan Piela – Google Books

S14, L. He completed kwanowa thesis in two years and started an independent research in the field of quantum chemistry – an entirely new research area in Poland at that time.

On some pecularities of intermolecular and intramolecular interactions. Kwantows, Biopolymers,27, Molecular electronic devices mnemon Professor Piela together with Leszek Stolarczyk proposed in a new kind of isomers. According to that hypothesis some donor-acceptor oligomers may exhibit long-living isomeric electronic metastable states.

Letters 7, L. These improvements usually inspired new, increasingly sophisticated determinations of the experimental value. Selected other publications L. The ground state electronic energy represents a complicated function of the nuclear coordinates. The strategy behind the deformation was the following: Any theory of regular polymers i.