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- catalog contributor b1433300.
- catalog contributor b1433301.
- catalog contributor b1433302.
- catalog created "c1980.".
- catalog date "1980".
- catalog date "c1980.".
- catalog dateCopyrighted "c1980.".
- catalog description "Includes bibliographical references and index.".
- catalog description "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 -- 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).".
- catalog extent "viii, 331 p. ;".
- catalog hasFormat "Computational methods in chemistry.".
- catalog identifier "0306404559".
- catalog isFormatOf "Computational methods in chemistry.".
- catalog isPartOf "The IBM research symposia series".
- catalog issued "1980".
- catalog issued "c1980.".
- catalog language "eng".
- catalog publisher "New York : Plenum Press,".
- catalog relation "Computational methods in chemistry.".
- catalog subject "QD95 .I58 1979".
- catalog subject "Quantum chemistry Data processing Congresses.".
- catalog subject "Spectrum analysis Data processing Congresses.".
- catalog tableOfContents "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 -- 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).".
- catalog title "Computational methods in chemistry / edited by Joachim Bargon.".
- catalog type "Conference proceedings. fast".
- catalog type "text".