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Author : National Library of Canada
Publisher :
ISBN 13 :
Total Pages : 508 pages
Book Rating : 4.:/5 (28 download)
Download or read book Canadian Theses written by National Library of Canada and published by . This book was released on 1976 with total page 508 pages. Available in PDF, EPUB and Kindle. Book excerpt:
Author : Jerzy Leszczynski
Publisher : World Scientific
ISBN 13 : 9810243715
Total Pages : 337 pages
Book Rating : 4.8/5 (12 download)
Download or read book Computational Chemistry written by Jerzy Leszczynski and published by World Scientific. This book was released on 2000 with total page 337 pages. Available in PDF, EPUB and Kindle. Book excerpt: This volume comprises six chapters which explore the development and applications of the methods of computational chemistry. The first chapter is on new developments in coupled-cluster (CC) theory. The homotopy method is used to obtain complete sets of solutions of nonlinear CC equations. The correspondence between multiple solutions to the CCSD, CCSDT, and full CI equations is established, and the applications of the new approach in modeling molecular systems are discussed. The second chapter reviews the computational theory for the time-dependent calculations of a solution to the Schrodinger equation for two electrons and focuses on the development of propagators to the solution. The next chapter features a discussion on a new self-consistent field for molecular interactions (SCF-MI) scheme for modifying Roothaan equations in order to avoid basis set superposition errors (BSSE). This method is especially suitable for computations of intermolecular interactions. Details of the theory, alongwith examples of applications to nucleic acid base pair complexes, are given. This chapter is well complemented by the following chapter, which reports the current status of computational studies of aromatic stacking and hydrogen bonding interactions among nucleic acid bases. The next chapter reveals the possibility of calculating the kinetics of chemical reactions in biological systems from the first principles. The last chapter reviews the results of rigorous ab initio studies of the series of derivatives of methane, silane, and germane. The presented molecular and vibrational parameters complement experimental data for these systems. In addition, the theoretical approach allows the predictionof the effects of halogeno-substitutions on their structures and properties.
Author : Faraday Society
Publisher :
ISBN 13 :
Total Pages : 1526 pages
Book Rating : 4.F/5 ( download)
Download or read book Transactions of the Faraday Society written by Faraday Society and published by . This book was released on 1963 with total page 1526 pages. Available in PDF, EPUB and Kindle. Book excerpt:
Author :
Publisher :
ISBN 13 :
Total Pages : 110 pages
Book Rating : 4.3/5 (91 download)
Download or read book Canadian theses on microfiche catalogue written by and published by . This book was released on 1982 with total page 110 pages. Available in PDF, EPUB and Kindle. Book excerpt:
Author : Faraday Society
Publisher :
ISBN 13 :
Total Pages : 1022 pages
Book Rating : 4.:/5 (334 download)
Download or read book Transactions written by Faraday Society and published by . This book was released on 1963 with total page 1022 pages. Available in PDF, EPUB and Kindle. Book excerpt:
Author : Donald T. Hawkins
Publisher : Springer Science & Business Media
ISBN 13 : 1468461478
Total Pages : 250 pages
Book Rating : 4.4/5 (684 download)
Download or read book Binary Fluorides written by Donald T. Hawkins and published by Springer Science & Business Media. This book was released on 2012-12-06 with total page 250 pages. Available in PDF, EPUB and Kindle. Book excerpt: Coverage For some time, we have contemplated a comprehensive review of the structures and force fields of the binary fluorides. This bibliography of 1498 references marks the first step of that effort. We are pub lishing this material now rather than waiting until the review is complete some two years hence because we believe that the information already accumulated will be of immediate use to a broad spectrum of researchers. Anyone ambitious enough to read through all the articles on binary fluorides will find that the struc tures and force fields of many of these molecules are at present unknown. For example, it has not been clearly established to which point group(s) the lanthanide trifluorides should be assigned. There remain interesting problems relating to the role of Jahn-Teller and pseudo-Jahn-Teller distortions in some of the transition metal fluorides such as VF , MoF , ReF , and ReF , to name only a few. One s s 6 7 also finds fascinating examples of large-amplitude motions, or pseudorotations, as they are often called, in such molecules as XeF 6, I F 7, and PF 5' For those binary fluorides whose equilibrium geometries are precisely known, there still exists the problem of accurately determining the harmonic force field. In a few cases, most notably the Group VA trifluorides, there has been some attempt made at extracting the cubic and quartic contributions to the force field.
Author : United States. Energy Research and Development Administration
Publisher :
ISBN 13 :
Total Pages : 920 pages
Book Rating : 4.3/5 (243 download)
Download or read book ERDA Energy Research Abstracts written by United States. Energy Research and Development Administration and published by . This book was released on 1976 with total page 920 pages. Available in PDF, EPUB and Kindle. Book excerpt:
Author :
Publisher :
ISBN 13 :
Total Pages : 700 pages
Book Rating : 4.0/5 ( download)
Download or read book Nuclear Science Abstracts written by and published by . This book was released on 1975 with total page 700 pages. Available in PDF, EPUB and Kindle. Book excerpt:
Author : Trevor Robert Gilson
Publisher : John Wiley & Sons
ISBN 13 :
Total Pages : 290 pages
Book Rating : 4.3/5 (91 download)
Download or read book Laser Raman Spectroscopy written by Trevor Robert Gilson and published by John Wiley & Sons. This book was released on 1970 with total page 290 pages. Available in PDF, EPUB and Kindle. Book excerpt:
Author :
Publisher :
ISBN 13 :
Total Pages : 1184 pages
Book Rating : 4.0/5 ( download)
Download or read book U.S. Government Research & Development Reports written by and published by . This book was released on 1969 with total page 1184 pages. Available in PDF, EPUB and Kindle. Book excerpt:
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Publisher :
ISBN 13 :
Total Pages : 1420 pages
Book Rating : 4.3/5 (91 download)
Download or read book Physics Briefs written by and published by . This book was released on 1993 with total page 1420 pages. Available in PDF, EPUB and Kindle. Book excerpt:
Author :
Publisher :
ISBN 13 :
Total Pages : 1174 pages
Book Rating : 4.:/5 (319 download)
Download or read book U. S. Government Research and Development Reports written by and published by . This book was released on 1969 with total page 1174 pages. Available in PDF, EPUB and Kindle. Book excerpt:
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Publisher :
ISBN 13 :
Total Pages : 328 pages
Book Rating : 4.:/5 (4 download)
Download or read book Proceedings written by and published by . This book was released on 1962 with total page 328 pages. Available in PDF, EPUB and Kindle. Book excerpt:
Author :
Publisher :
ISBN 13 :
Total Pages : 1692 pages
Book Rating : 4.:/5 (319 download)
Download or read book Science Abstracts written by and published by . This book was released on 1955 with total page 1692 pages. Available in PDF, EPUB and Kindle. Book excerpt:
Author : Institute of Petroleum (Great Britain)
Publisher :
ISBN 13 :
Total Pages : 324 pages
Book Rating : 4.3/5 (91 download)
Download or read book Spectroscopy written by Institute of Petroleum (Great Britain) and published by . This book was released on 1962 with total page 324 pages. Available in PDF, EPUB and Kindle. Book excerpt:
Author :
Publisher :
ISBN 13 :
Total Pages : 1388 pages
Book Rating : 4.P/5 (18 download)
Download or read book Scientific and Technical Aerospace Reports written by and published by . This book was released on 1967 with total page 1388 pages. Available in PDF, EPUB and Kindle. Book excerpt:
Author :
Publisher :
ISBN 13 :
Total Pages : 1172 pages
Book Rating : 4.U/5 (183 download)
Download or read book Government Reports Announcements & Index written by and published by . This book was released on 1969 with total page 1172 pages. Available in PDF, EPUB and Kindle. Book excerpt:
