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Computational quantum chemistry II : the group theory calculator /
Modern Computational Quantum Chemistry is indispensable for research in the chemical sciences. Computational Quantum Chemistry II - The Group Theory Calculator describes the group theory that the authors have developed in the past twenty-five years and illustrates how this approach, known as the �...
| Clasificación: | Libro Electrónico |
|---|---|
| Autor principal: | |
| Otros Autores: | , |
| Formato: | Electrónico eBook |
| Idioma: | Inglés |
| Publicado: |
San Diego, Calif. :
Academic Press,
�2005.
|
| Temas: | |
| Acceso en línea: | Texto completo |
MARC
| LEADER | 00000cam a2200000 a 4500 | ||
|---|---|---|---|
| 001 | SCIDIR_ocn162573388 | ||
| 003 | OCoLC | ||
| 005 | 20231117014933.0 | ||
| 006 | m o d | ||
| 007 | cr cn||||||||| | ||
| 008 | 070806s2005 caua ob 001 0 eng d | ||
| 040 | |a OPELS |b eng |e pn |c OPELS |d OPELS |d BTCTA |d BAKER |d OCLCQ |d OCLCF |d N$T |d YDXCP |d OCLCQ |d D6H |d LEAUB |d OL$ |d OCLCO |d OCLCQ |d OCLCO | ||
| 019 | |a 75284799 |a 144220182 |a 144565131 | ||
| 020 | |a 9780123704566 | ||
| 020 | |a 0123704561 | ||
| 020 | |a 0080455204 | ||
| 020 | |a 9780080455204 | ||
| 035 | |a (OCoLC)162573388 |z (OCoLC)75284799 |z (OCoLC)144220182 |z (OCoLC)144565131 | ||
| 050 | 4 | |a QD462.6.D38 |b Q352 2005eb | |
| 072 | 7 | |a SCI |x 013050 |2 bisacsh | |
| 082 | 0 | 4 | |a 541/.280285 |2 22 |
| 100 | 1 | |a Quinn, Charles M. | |
| 245 | 1 | 0 | |a Computational quantum chemistry II : |b the group theory calculator / |c Charles M. Quinn, Patrick W. Fowler, David B. Redmond. |
| 246 | 3 | |a Group theory calculator | |
| 246 | 3 | |a Computational quantum chemistry 2 : |b The group theory calculator | |
| 260 | |a San Diego, Calif. : |b Academic Press, |c �2005. | ||
| 300 | |a 1 online resource (viii, 188 pages) : |b illustrations | ||
| 336 | |a text |b txt |2 rdacontent | ||
| 337 | |a computer |b c |2 rdamedia | ||
| 338 | |a online resource |b cr |2 rdacarrier | ||
| 520 | |a Modern Computational Quantum Chemistry is indispensable for research in the chemical sciences. Computational Quantum Chemistry II - The Group Theory Calculator describes the group theory that the authors have developed in the past twenty-five years and illustrates how this approach, known as the 'Spherical Shell' method, can be applied to solve a variety of problems that benefit from a group theory analysis. To complement the theory, the book is supplied with a CD-ROM (Windows & trade; application), on which interactive files, based on EXCEL spreadsheet technology controlled by Visual Basic code, can be used to perform straightforwardly group-theory analyses for direct application to the simplification of physical problems in Chemistry, Physics and even Engineering Science. The Group Theory Calculator Web page is located at http://www.chemistry.nuim.ie/gt_calculator.htm. The primary purpose of this Web page is to identify and resolve any problems encountered while using the MS EXCEL files on the CD-ROM (included with the book). The Web page is maintained by Charles M. Quinn and allows readers to gain updates and news relating to this publication. * A comprehensive description of the authors' revolutionary group theory and structural chemistry methodology * A unique reference/ teaching work together with a CD-ROM filled with powerful interactive files that can be applied to solve group theory problems * Valuable companion for instructors, designers and students * Contains powerful calculators that are simple to use and do not require detailed knowledge for their application. | ||
| 505 | 0 | |a 1. Operating instructions for the Group Theory Calculator. -- -- 2. Geometry, orbits and decorations. -- -- 3. Decorations of orbits using local functions: reducible characters for s, p, d ... local functions; central polynomial functions as basis sets for the irreducible representations of the point groups; the construction of group orbitals. -- -- 4. Symmetrized powers and their applications. | |
| 520 | |a " ... describes the group theory that the authors have developed in the past twenty-five years and illustrates how this approach, known as the 'Spherical Shell' method, can be applied to solve a variety of problems that benefit from a group theory analysis"--Publisher's web page | ||
| 500 | |a Accompanying CD-ROM contains interactive files, based on EXCEL spreadsheet technology controlled by Visual Basic code, can be used to perform straightforwardly group-theory analyses for direct application to the simplification of physical problems in Chemistry, Physics and even Engineering Science. | ||
| 504 | |a Includes bibliographical references (page 185. | ||
| 505 | 2 | |a 1. Operating instructions for the Group Theory Calculator -- 2. Geometry, orbits and decorations -- 3. Decorations of orbits using local functions ... -- 4. Symmetrical powers and their applications -- Appendix 1. The icosahedral harmonics -- Appendix 2. Quantum chemistry on an EXCEL spreadsheet -- Appendix 3. Sample input files for the ApianusII.exe and FunctionalPlot.exe programmes on the CDROM -- Bibliographys -- Index. | |
| 588 | 0 | |a Print version record. | |
| 650 | 0 | |a Quantum chemistry |x Data processing. | |
| 650 | 0 | |a Combinatorial group theory. | |
| 650 | 6 | |a Chimie quantique |0 (CaQQLa)201-0045730 |x Informatique. |0 (CaQQLa)201-0380011 | |
| 650 | 6 | |a Th�eorie combinatoire des groupes. |0 (CaQQLa)201-0137050 | |
| 650 | 7 | |a SCIENCE |x Chemistry |x Physical & Theoretical. |2 bisacsh | |
| 650 | 7 | |a Combinatorial group theory |2 fast |0 (OCoLC)fst00868974 | |
| 650 | 7 | |a Quantum chemistry |x Data processing |2 fast |0 (OCoLC)fst01085088 | |
| 700 | 1 | |a Fowler, P. W. | |
| 700 | 1 | |a Redmond, David B. | |
| 776 | 0 | 8 | |i Print version: |a Quinn, Charles M. |t Computational quantum chemistry II. |d San Diego, Calif. : Academic Press, �2005 |z 0123704561 |z 9780123704566 |w (OCoLC)64771867 |
| 856 | 4 | 0 | |u https://sciencedirect.uam.elogim.com/science/book/9780123704566 |z Texto completo |