LEADER 04712nam 2200685 a 450 001 9910457416303321 005 20200520144314.0 010 $a1-283-30283-7 010 $a9786613302830 010 $a0-262-29875-9 035 $a(CKB)2550000000057225 035 $a(EBL)3339302 035 $a(SSID)ssj0000539444 035 $a(PQKBManifestationID)11373227 035 $a(PQKBTitleCode)TC0000539444 035 $a(PQKBWorkID)10585210 035 $a(PQKB)10398112 035 $a(StDuBDS)EDZ0000130776 035 $a(MiAaPQ)EBC3339302 035 $a(OCoLC)758384939 035 $a(MdBmJHUP)muse26680 035 $a(OCoLC)758384939$z(OCoLC)766417410$z(OCoLC)778616597$z(OCoLC)779881278$z(OCoLC)816867511$z(OCoLC)961583861$z(OCoLC)962695560$z(OCoLC)969968841$z(OCoLC)988436415$z(OCoLC)992076167$z(OCoLC)1037938790$z(OCoLC)1038669008$z(OCoLC)1058786373 035 $a(OCoLC-P)758384939 035 $a(MaCbMITP)8988 035 $a(Au-PeEL)EBL3339302 035 $a(CaPaEBR)ebr10504732 035 $a(CaONFJC)MIL330283 035 $a(EXLCZ)992550000000057225 100 $a20110314d2012 uy 0 101 0 $aeng 135 $aurcnu---unuuu 181 $ctxt 182 $cc 183 $acr 200 10$aNeither physics nor chemistry$b[electronic resource] $ea history of quantum chemistry /$fKostas Gavroglu and Ana Simo?es 210 $aCambridge, Mass. $cMIT Press$dc2012 215 $a1 online resource (367 p.) 225 1 $aTransformations : studies in the history of science and technology 300 $aDescription based upon print version of record. 311 $a0-262-01618-4 320 $aIncludes bibliographical references and index. 327 $aContents; Preface; Introduction; Chapter 1. Quantum Chemistry qua Physics: The Promises and Deadlocks of Using First Principles; The Old Quantum Chemistry: Bonds for Physicists and Chemists; Walter Heitler and Fritz London: Outlining a Program for Quantum Chemistry; Erich Hu?ckel: Nonvisualizability and the Quantum Theory of the Double Bond; Hans Hellmann: Fundamental Theorems and Semi-empirical Approaches; Friedrich Hund: Foundations of Molecular Spectroscopy in Quantum Mechanics; Some Further Remarks; Chapter 2. Quantum Chemistry qua Chemistry: Rules and More Rules 327 $aThe Young Mulliken: Hinting at Molecular Orbitals Gilbert Newton Lewis: A Precursor; Linus Pauling: Exploring Different Possibilities for a Quantum Mechanical Theory of Valence; 1931: The Annus Mirabilis for Quantum Chemistry; Two Parallel Research Agendas; The Development of Mulliken' s Program: What Are Electrons Really Doing in Molecules?; Playing the Devil's Advocate; Heitler and London: The Lost Battle; Legitimation through Pedagogical Considerations; Two Nobel Prizes Worlds Apart; Some Further Remarks 327 $aChapter 3. Quantum Chemistry qua Applied Mathematics: Approximation Methods and Crunching Numbers The 1923 Faraday Society Meeting and Its Aftermath: Sensing the Road Ahead; First Incursions into Atomic and Molecular Calculations; The 1929 Faraday Society Meeting and the 1931 British Association for the Advancement of Science Meeting; The 1933 Faraday Society Meeting and the 1934 International Conference in Physics; Further Developments in Molecular and Atomic Calculations; Charles Alfred Coulson: A New Research Agenda; Some Further Remarks 327 $aChapter 4. Quantum Chemistry qua Programming: Computers and the Cultures of Quantum Chemistry The Newcomers: Quantum Chemistry's Forays into New Realms; The 1951 Shelter Island Conference; The 1953 Nikko Symposium and Slater's Solid-State and Molecular Theory Group; Quantum Chemistry as a Lifestyle; Old Contexts, New Agendas: Quantum Chemistry as a Quasi Laboratory Science; A New Era; Some Further Remarks; Chapter 5. The Emergence of a Subdiscipline: Historiographical Considerations; The Role of Theory in Chemistry; The Theoretical Particularity of Chemistry; Notes; Bibliography; Index 330 8 $aThe authors of this book examine the evolution of quantum chemistry into an autonomous discipline, tracing its development from the publication of early papers in the 1920's to the dramatic changes brought about by the use of computers in the 1970's. 410 0$aTransformations (M.I.T. Press) 606 $aQuantum chemistry$xHistory 608 $aElectronic books. 615 0$aQuantum chemistry$xHistory. 676 $a541/.28 700 $aGavroglou$b Ko?stas$047997 701 $aSimo?es$b Ana$067683 801 0$bMiAaPQ 801 1$bMiAaPQ 801 2$bMiAaPQ 906 $aBOOK 912 $a9910457416303321 996 $aNeither physics nor chemistry$92488451 997 $aUNINA