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Books Books 1 - 7 of 7 on Becke, AD (1993): Density-functional thermochemistry. III. The role of exact exchange.....
" Becke, AD (1993): Density-functional thermochemistry. III. The role of exact exchange. J. Chem. Phys. 98, 5648-5652 8. "
Density-Functional Theory of Atoms and Molecules - Page 287
by Robert G. Parr, Yang Weitao - 1994 - 352 pages
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Hydrogen as a Fuel: Learning from Nature

Richard Cammack, Michel Frey, Robert Robson - Science - 2015 - 267 pages
...Electronic Structure Theory. Part II, Vol. 2. Singapore: World Scientific, pp. 1281-1374. Becke, AD (1988) Density-functional exchange-energy approximation with...asymptotic behavior. Phys. Rev. A, 38, 3098-3100. Becke, AD (1998) A new inhomogeneity parameter in density-functional theory. /. Chem. Phys., 109, 2092-8....
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Metal-Ligand Interactions

Malgorzata Witko - Ligands - 1996 - 552 pages
...Kohn-Sham eigenenergies into electron binding energies, J. Chem. Phys., in press. 25. Becke, AD (1988) Density-functional exchange-energy approximation with...correct asymptotic behavior, Phys. Rev. A 38, 3098-3100. 26. Perdew, JP (1986) Density-functional approximation for the correlation energy of the inhomogeneous...
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High Performance Computing in Science and Engineering, Munich 2002 ...

Siegfried Wagner, W. Hanke, A. Bode - Computers - 2003 - 505 pages
...thermochemistry. III. The role of exact exchange. J. Chem. Phys. 98, 5648-5652 8. Becke, AD (1988): Density-functional exchange-energy approximation with...correct asymptotic behavior. Phys. Rev. A 38, 3098-3100 9. Lee, C.. Yang, W.. Parr, RG (1988): Development of the Colle-Salvetti correlation-energy formula...
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Computational Chemistry

Philippe G. Ciarlet, Claude Le Bris - Mathematics - 1990 - 899 pages
...hyperpolarizabilities, I. Theoretical calculations including correlation, Phys. Rev. A 20, 1313-1322. BECKE, AD (1988). Density-functional exchange-energy approximation with...correct asymptotic behavior, Phys. Rev. A 38. 3098-3100. BECKE, AD (1993). Density-functional thermochemistry. III. The role of exact exchange, J. Chem. Phys....
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Fundamentals and Applications of Anion Separations

Bruce A. Moyer, Raj P. Singh - Science - 2004 - 358 pages
...Chemistry, edited by JK Labanowski and JW Andzelm (Springer-Verlag, New York, 1991). 25. AD Becke, Density-functional exchange-energy approximation with...correct asymptotic behavior, Phys. Rev. A 38, 3098-3100 (1988). 26. JP Perdew, Density-functional approximation for the correlation-energy of the inhomogeneous...
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Electronic Structure Calculations for Solids and Molecules: Theory and ...

Jorge Kohanoff - Science - 2006
...(1986). Density functional calculations of molecular bond energies. J. Chem. Phys. 84, 4524-4529. (1988). Density-functional exchange-energy approximation with...correct asymptotic behavior. Phys. Rev. A 38, 3098-3100. (1993). Density-functional thermochemistry. III. The role of exact exchange. J. Chem. Phys. 98, 5648-5652....
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Radiation Induced Molecular Phenomena in Nucleic Acids: A Comprehensive ...

Manoj Shukla, Jerzy Leszczynski - Science - 2008 - 677 pages
...the most stable tautomers of glycine and uracil. J Phys Chem A 106: 7423-7433. 62. Becke AD (1988). Density-functional exchange-energy approximation with...correct asymptotic behavior. Phys Rev A 38: 3098-3100. 63. Becke AD (1993). Density-functional thermochemistry. III. The role of exact exchange. J Chem Phys...
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