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Effects of the Condensed-Phase Environment

The discussion above concerns calculations of isolated species. Most situations of experimental interest, however, involve species in a solid or liquid environment, or at interfaces. In these situations, even though there are developments to enable the use of correlated wavefunctions for very large systems, the approaches discussed so far cannot be employed directly in their current form, and embedding approaches are employed. [Pg.276]

Section 11.2.3 are promising. No application to heavy element solvated species have been reported, but the experience gathered on lighter molecular systems (acetone [81], uracil [91] in water) can be directly translated to heavier counterparts. [Pg.278]


See other pages where Effects of the Condensed-Phase Environment is mentioned: [Pg.883]    [Pg.884]    [Pg.887]    [Pg.276]   


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