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Improving catalytic function by ProSAR-driven enzyme evolution

โœ Scribed by Fox, Richard J; Davis, S Christopher; Mundorff, Emily C; Newman, Lisa M; Gavrilovic, Vesna; Ma, Steven K; Chung, Loleta M; Ching, Charlene; Tam, Sarena; Muley, Sheela


Book ID
109909728
Publisher
Nature Publishing Group
Year
2007
Tongue
English
Weight
393 KB
Volume
25
Category
Article
ISSN
1087-0156

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Time-evolution of multiconfiguration den
โœ David A. Micha ๐Ÿ“‚ Article ๐Ÿ“… 1996 ๐Ÿ› John Wiley and Sons ๐ŸŒ English โš– 729 KB

Chemical bonding in nonstationary states is treated within a multiconfiguration timedependent Hartree-Fock (MCTDHF) approach, combined with an eikonal description of the nuclear motions valid for several degrees of freedom. The treatment focuses on the use of density matrices, insofar as these have