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  • Quantum-mechanical prediction of thermochemical data
  • 紀錄類型: 書目-語言資料,印刷品 : Monograph/item
    正題名/作者: Quantum-mechanical prediction of thermochemical data/ edited by Jerzy Cioslowski.
    其他作者: Cioslowski, Jerzy.
    出版者: Dordrecht ;Kluwer Academic Publishers, : c2001.,
    面頁冊數: xiv, 252 p. :ill. ;25 cm.
    叢書名: Understanding chemical reactivity ;
    內容註: Highly accurate ab initio computation of thermochemical data / Trygve Helgaker ... [et al.] -- W1 and W2 theories, and their variants : thermochemistry in the kJ/mol accuracy range/ Jan M.L. Martin and S. Parthiban -- Quantum-chemical methods for accurate theoretical thermochemistry / Krishnan Raghavachari and Larry A. Curtiss -- Complete basis set models for chemical reactivity : from the helium atom to enzyme kinetics/ George A. Petersson -- Application and testing of diagonal, partial third-order electron propagator approximations / Antonio M. Ferreira ... [et al.] -- Theoretical thermochemistry of radicals/ David J. Henry and Leo Radom -- Theoretical prediction of bond dissociation energies for transition metal compounds and main group complexes with standard quantum-chemical methods/ Nikolaus Fr鋌hlich and Gernot Frenking -- Theoretical thermochemistry : a brief survey / Walter Thiel.
    標題: Quantum chemistry. -
    電子資源: http://www.netLibrary.com/urlapi.asp?action=summary&v=1&bookid=78539An electronic book accessible through the World Wide Web; click for information
    ISBN: 0306476320 (electronic bk.)
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