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LEADER 02363cam 22004214a 4500

001 ocm47099253;

003 OCoLC;

005 20141212162411.0;

008 010604s2001 ne a b 001 0 eng ;

010 a| 2001038174;

015 a| GBA1-41613;

020 a| 0792370775 (HB : acid-free paper);

035 a| (Sirsi) o47099253;

035 a| (OCoLC)47099253;

042 a| pcc;

049 a| EREE;

072 7 a| QD2| lcco;

082 00 a| 541.3/62| 21;

090 a| QD511b| .Q24 2001;

245 00 a| Quantum-mechanical prediction of thermochemical data /c| edited by Jerzy Cioslowski.;

300 a| xiv, 252 pages :b| illustrations ;c| 25 cm.;

336 a| text2| rdacontent;

337 a| unmediated2| rdamedia;

338 a| volume2| rdacarrier;

490 1 a| Understanding chemical reactivity ;v| v. 22;

504 a| Includes bibliographical references and index.;

505 0 a| 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 Fröhlich and Gernot Frenking -- Theoretical thermochemistry : a brief survey / Walter Thiel.;

650 0 a| Thermochemistry.=| ^A21979;

650 0 a| Quantum chemistry.=| ^A3628;

700 1 a| Cioslowski, Jerzy.=| ^A369244;

830 0 a| Understanding chemical reactivity ;v| v. 22.=| ^A273301;

994 a| X0b| ERE;

938 a| Otto Harrassowitzb| HARRn| har015020266c| 194.00 DEM;

596 a| 1;

998 a| 877345;

999 a| QD511 .Q24 2001w| LCc| 1i| 30372011595870d| 11/19/2007e| 9/24/2007l| JGESm| JOYNERn| 1r| Ys| Yt| JGESBKu| 5/20/2002x| BOOKz| JSTACKSo| .STAFF. 0;

Quantum-mechanical prediction of thermochemical data / edited by Jerzy Cioslowski.

Other author	Cioslowski, Jerzy.
Format	Book
Publication Info	Dordrecht ; Boston : Kluwer Academic Publishers, ©2001.
Description	xiv, 252 pages : illustrations ; 25 cm.
Subjects	Thermochemistry. Quantum chemistry.

Series	Understanding chemical reactivity ; v. 22 Understanding chemical reactivity ; v. 22. ^A273301
Contents	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 Fröhlich and Gernot Frenking -- Theoretical thermochemistry : a brief survey / Walter Thiel.
Bibliography note	Includes bibliographical references and index.
LCCN	2001038174
ISBN	0792370775 (HB : acid-free paper)

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Quantum-mechanical prediction of thermochemical data / edited by Jerzy Cioslowski.

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