Dimethyl Phosphate: Stereoelectronic versus Environmental Effects

Journal of Physical Chemistry B

Volumn 103, Issue 29, 1999, Pages 6121-6126

  Alber, Frank ^a,b   Folkers, Gerd ^b   Carloni, Paolo ^a,c  

^a SISSA   (Italy)

^b ETH ZURICH   (Switzerland)

^c INTERNATIONAL CENTRE FOR GENETIC ENGINEERING AND BIOTECHNOLOGY   (Italy)

Author keywords

[No Author keywords available]

Indexed keywords

EID: 0000426945     PISSN: 15206106     EISSN: None     Source Type: Journal    
DOI: 10.1021/jp9901038     Document Type: Article

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46. 42
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63. By definition, the maximally localized Wannier functions are not suited to describe strongly delocalized bonds. Thus, our analysis cannot be extended to the nonester P-OA and P-OB bonds.