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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.)

Quantum-mechanical prediction of thermochemical data
Quantum-mechanical prediction of thermochemical data[electronic resource] /edited by Jerzy Cioslowski. - Dordrecht ;Kluwer Academic Publishers,c2001. - xiv, 252 p. :ill. ;25 cm. - Understanding chemical reactivity ;v. 22.

Includes bibliographical references and index.

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.

Electronic reproduction.
Boulder, Colo. :
NetLibrary,
2003.

Available via World Wide Web.

ISBN: 0306476320 (electronic bk.)Subjects--Topical Terms:

519235
Quantum chemistry.
Index Terms--Genre/Form:

542853
Electronic books.

LC Class. No.: QD511 / .Q24 2001eb

Dewey Class. No.: 541.3/6

Quantum-mechanical prediction of thermochemical data
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300 $a xiv, 252 p. : $b ill. ; $c 25 cm.
440 0 $a Understanding chemical reactivity ; $v v. 22
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