Computational Methods in Chemistry [E-Book] / edited by Joachim Bargon.
The papers collected in this volume were presented at an international symposium on Computational Methods in Chemistry. This symposium was sponsored by IBM Germany and was held September 17-19, 1979, in Bad Neuenahr, West Germany. According to Graham Richards [Nature 278, 507 (1979)] the "Third...
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Full text |
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| Personal Name(s): | Bargon, Joachim, editor |
| Imprint: |
Boston, MA :
Springer,
1980
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| Physical Description: |
VIII, 331 p. 90 illus. online resource. |
| Note: |
englisch |
| ISBN: |
9781468437287 |
| DOI: |
10.1007/978-1-4684-3728-7 |
| Series Title: |
The IBM Research Symposia Series
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| Subject (LOC): |
- Setting up, Using, and Maintaining Computer-Readable Spectra Compilations
- The Solution to the General Problem of Spectral Analysis Illustrated with Examples from NMR
- Determination of the Structures of Organic Molecules by Computer Evaluation and Simulation of Infrared and Raman Spectra
- Phenomena in Photoelectron Spectroscopy and Their Theoretical Calculation
- Novel Radical Ions: Generation and Properties. An Interim Report on PES and ESR Investigations
- Potential Surface Studies of Open Shell Systems
- Computed Physical Properties of Small Molecules
- Calculation of Electronically Excited States in Molecules: Intensity and Vibrational Structure of Spectra, Photochemical Implications
- The Application of Ab Initio Quantum Chemistry to Problems of Current Interest Raised by Experimentalists
- Computer Chemistry Studies of Organic Reactions: The Wolff Rearrangement
- Computer Programs for the Deductive Solution of Chemical Problems on the Basis of Mathematical Models — A Systematic Bilateral Approach to Reaction Pathways
- Recent Developments in Computational Chemistry in the U.S.: The NRCC (National Resource for Computation in Chemistry).