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Principles and Applications of Density Functional Theory in Inorganic Chemistry I (Structure and Bonding) (Pt. 1)
 
 
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Principles and Applications of Density Functional Theory in Inorganic Chemistry I (Structure and Bonding) (Pt. 1) [Hardcover]

Nik Kaltsoyanis (Editor), John E. McGrady (Editor)

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Book Description

November 10, 2004 Structure and Bonding (Book 112)
Discusses recent developments in the density functional theory and its application in modern inorganic and bio-inorganic chemistry. Focuses on advances in density functional methodology.

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Inside This Book (learn more)
Key Phrases - Statistically Improbable Phrases (SIPs): (learn more)
nonhybrid functional, aza bridges, calculated excitation energies, wavefunction methods, exact exchange, ligand shifts, hybrid functionals, nuclear shielding, benzo rings, metal shifts, optimized geometry, olefin insertion, bite angle, shielding tensor, homogeneous catalysis, shielding constants, solution spectrum, branched product, different spin states, ground state geometry, gauge problem, transition metal compounds, exchange functional, transition metal complexes, deconvolution analysis
Key Phrases - Capitalized Phrases (CAPs): (learn more)
Chem Phys, Chem Soc, Phys Chem, Excitation Energies of Metal Complexes, Inorg Chem, Chem Rev, Phys Rev, New York, Quantum Chem, Theor Chem Acc, Chem Eur, Angew Chem Int Ed Engl, Comput Chem, Mol Spectrosc, Organomet Chem, Acc Chem Res, Expt State, American Chemical Society, Springer-Verlag Berlin Heidelberg, Theor Chim Acta
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