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Nonempirical Molecular Orbital Calculations For The Ground And Lower Excited States Of Some Small Polyatomic Molecules
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Book Synopsis Nonempirical Molecular Orbital Calculations for the Ground and Lower Excited States of Some Small Polyatomic Molecules by : Robert Francis Barr
Download or read book Nonempirical Molecular Orbital Calculations for the Ground and Lower Excited States of Some Small Polyatomic Molecules written by Robert Francis Barr and published by 1974.. This book was released on 1974 with total page 238 pages. Available in PDF, EPUB and Kindle. Book excerpt:
Book Synopsis Comprehensive Dissertation Index: Chemistry, P-Z by :
Download or read book Comprehensive Dissertation Index: Chemistry, P-Z written by and published by . This book was released on 1984 with total page 844 pages. Available in PDF, EPUB and Kindle. Book excerpt:
Download or read book Canadiana written by and published by . This book was released on 1977 with total page 624 pages. Available in PDF, EPUB and Kindle. Book excerpt:
Book Synopsis Binary Fluorides by : Donald T. Hawkins
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.
Book Synopsis Canadian Theses by : National Library of Canada
Download or read book Canadian Theses written by National Library of Canada and published by . This book was released on 1980 with total page 720 pages. Available in PDF, EPUB and Kindle. Book excerpt:
Book Synopsis Comprehensive Dissertation Index by :
Download or read book Comprehensive Dissertation Index written by and published by . This book was released on 1984 with total page 818 pages. Available in PDF, EPUB and Kindle. Book excerpt: Vols. for 1973- include the following subject areas: Biological sciences, Agriculture, Chemistry, Environmental sciences, Health sciences, Engineering, Mathematics and statistics, Earth sciences, Physics, Education, Psychology, Sociology, Anthropology, History, Law & political science, Business & economics, Geography & regional planning, Language & literature, Fine arts, Library & information science, Mass communications, Music, Philosophy and Religion.
Book Synopsis Comprehensive Dissertation Index: Chemistry, E-O by :
Download or read book Comprehensive Dissertation Index: Chemistry, E-O written by and published by . This book was released on 1984 with total page 858 pages. Available in PDF, EPUB and Kindle. Book excerpt:
Book Synopsis Dissertation Abstracts International by :
Download or read book Dissertation Abstracts International written by and published by . This book was released on 1975 with total page 1022 pages. Available in PDF, EPUB and Kindle. Book excerpt:
Book Synopsis Ab Initio Molecular Orbital Calculations for Chemists by : William Graham Richards
Download or read book Ab Initio Molecular Orbital Calculations for Chemists written by William Graham Richards and published by Oxford University Press, USA. This book was released on 1970 with total page 116 pages. Available in PDF, EPUB and Kindle. Book excerpt:
Book Synopsis Notes on Molecular Orbital Calculations by : John D. Roberts
Download or read book Notes on Molecular Orbital Calculations written by John D. Roberts and published by . This book was released on 1961 with total page 176 pages. Available in PDF, EPUB and Kindle. Book excerpt:
Download or read book Physics Briefs written by and published by . This book was released on 1992 with total page 1208 pages. Available in PDF, EPUB and Kindle. Book excerpt:
Book Synopsis Index to American Doctoral Dissertations by :
Download or read book Index to American Doctoral Dissertations written by and published by . This book was released on 1974 with total page 640 pages. Available in PDF, EPUB and Kindle. Book excerpt:
Book Synopsis Molecular Orbitals and their Energies, Studied by the Semiempirical HAM Method by : Einar Lindholm
Download or read book Molecular Orbitals and their Energies, Studied by the Semiempirical HAM Method written by Einar Lindholm and published by Springer Science & Business Media. This book was released on 2012-12-06 with total page 301 pages. Available in PDF, EPUB and Kindle. Book excerpt: This treatment of molecular and atomic physics is primarily meant as a textbook. It is intended for both chemists and physicists. ·It can be read without much knowledge of quantum mechanics or mathematics, since all such details are explained-. It has developed through a series of lectures at the Royal Institute of Technology. The content is to about 50 % theoretical and to 50 % experimental. The reason why the authors, who are experimentalists, went into theory is the following. When we during the beginning of the 1970's measured photo electron spectra of organic molecules, it appeared to be impossible to understand them by use of available theoretical calculations. To handle hydrocarbons we ( together with C. Fridh ) constructed in 1972 a purely empirical procedure, SPINDO [1] which has proved to be useful, but the extension to molecules with hetero atoms appeared to be difficult. One of us ( L.A.) proposed then another purely ~~E!E!~~! EE2~~~~E~ ( Hydrogenic Atoms in Molecules, HAM/1, unpublished), in which the Fock matrix elements f5..y were parametrized using Slater's shielding concept. The self-repulsion was compensated by a term "-1". The §~~2~~_~ff2E~, HAM/2 [2] , started from the total energy E:. of the molecule. The atomic parts of L used the Slater shielding constants, and the bond parts of E. were taken from SPINDO. The Fock matrix elements Fpv were then obtained from E in a conventional way.
Book Synopsis Approximate Molecular-orbital Calculations on Polyatomic Molecules by : Bruce Gilson
Download or read book Approximate Molecular-orbital Calculations on Polyatomic Molecules written by Bruce Gilson and published by . This book was released on 1969 with total page 486 pages. Available in PDF, EPUB and Kindle. Book excerpt:
Book Synopsis Molecular Interactions and Electronic Spectra by : Noboru Mataga
Download or read book Molecular Interactions and Electronic Spectra written by Noboru Mataga and published by . This book was released on 1970 with total page 526 pages. Available in PDF, EPUB and Kindle. Book excerpt:
Download or read book Photochemistry – 6 written by A. Gilbert and published by Elsevier. This book was released on 2016-01-22 with total page 183 pages. Available in PDF, EPUB and Kindle. Book excerpt: Photochemistry — 6 is a collection of plenary lectures presented at the Sixth International Symposium on Photochemistry held in Aix-en-Provence, France, on July 19-23, 1976. Contributors focus on the photochemistry of a variety of compounds and substances, including bichromophoric compounds, heterocycles, and metal carbonyls. The results of photochemical studies of visual pigments are also presented. This book is comprised of 14 chapters and opens with a review of the state of the art of ab initio quantum-mechanical calculations for polyatomic molecules, with particular reference to predictions of interest to photochemists. The major areas discussed are spectral predictions, substituent effects on energy gaps, and potential energy surfaces. The following chapters explore energy transfer and molecular mobility in polymer photochemistry; the photochemistry of polyenes and aromatic-N-ylides; cis-trans isomerization in the photochemistry of vision; and aromatic aldehyde-leuco dye photoxidation. The electrochemical boundaries for the photochemistry of spectrally sensitized silver halide emulsions are also examined, along with the photochemistry of organic chromophores incorporated into fatty acid monolayers. This monograph will be of interest to chemists in general and photochemists in particular.
Book Synopsis Molecular Orbital Theory by : C. J. Ballhausen
Download or read book Molecular Orbital Theory written by C. J. Ballhausen and published by . This book was released on 1965 with total page 300 pages. Available in PDF, EPUB and Kindle. Book excerpt:
