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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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.
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There were many attempts to solve this problem for protein molecules, for which it is believed their native conformation corresponds to the lowest free energy. Letters M. The authors have proved a theorem indicating how the multipole expansion has to be pilea to remove such a dependence [L.
Using the invariance Piela and Stolarczyk introduced a novel technique of calculation of the long-range electrostatic forces.
S 22, J. The strategy behind piel deformation was the following: The book has two Polish editions, the second English edition is under way. Professor Piela serving as a dean of the Chemistry Department of the University of Warsaw has introduced profound changes described in L.
Together with his collaborators from Warsaw, he studied the foundations of the perturbation theory of intermolecular forces and contributed to the development of the current formulation of the symmetry-adapted perturbation theory. Peila states would result from a cooperative effect of successive electron transfers from several electron donor to electron acceptor moieties of the molecule. These improvements usually inspired new, increasingly sophisticated determinations of the experimental value.
Idee chemii kwantowej
Strategies and Applications in Quantum Chemistry, edited by Y. The multipole expansion has been used in the intermolecular inter action theory, but Piela applied it for the first time to a single molecule. B 22, ]. Series 43, L. Special issue of Polish Journal of Chemistry Pol.
A47, E. Letters 7, L. The ground state electronic energy represents a complicated function of the nuclear coordinates.
In he was elected to the Polish Academy of Sciences. Another article, published in also with Wolniewicz, was listed as one of the one hundred most cited articles which appeared pielz the Reviews of Modern Physics.
His achievements were widely recognized by the scientific community. These data are still utilized by all current neutrino-mass experiments.
The most widely known DEM method with the deformation parameter t often ends up at a simple analytical formula for the deformed function. The isomers will differ by the electronic charge distribution rather than the nuclear framework as all the others do.
Idee chemii kwantowej – Lucjan Piela – Google Books
The long-range forces in molecules and polymers Any theory of regular polymers i. The molecules, chemoa synthesised, might be considered as molecular memory, molecular switches, etc.
His research topic was the influence of hindered rotation on neutron scattering off small organic molecules. In fact all of these attempts based on some smoothing of the energy landscape. He was also one of the pioneers in the field of chemiaa initio studies of the nonadditivity of intermolecular forces. Other fields of activity Professor Piela serving as a dean of the Chemistry Department of the University of Warsaw has introduced profound changes described in L.
Piela Delta 9, 6 L. Scheraga, Biopolymers,27, As shown by other authors the DEM method is related to several equations of physics: This leads to identifying the parameter t as time even for mathematical kwaantowa to be minimised with no relation to physics or chemistry. Thanks to enormous effort che,ia the protein folding community it is possible to design such amino acid sequences, which fold to the desired protein 3D structure. Initially he employed the explicitly correlated basis introduced earlier by James and Coolidge.
B22, J. He also devoted considerable effort to the study of various spectroscopic properties of excited states of the hydrogen molecule obtaining numerous accurate potential energy curves which have been invaluable not only in interpreting spectroscopic experiments, pifla also in other fields of science.