NMR chemical shifts. 1. The role of relative atomic orbital phase in determining the sign of the paramagnetic terms: ClF, CH3F, CH3NH3+, FNH3+, and HC≡CF

Journal of Physical Chemistry A

Volumn 102, Issue 45, 1998, Pages 8766-8773

  Wiberg, Kenneth B ^a   Hammer, Jack D ^a   Zilm, Kurt W ^a   Cheeseman, James R ^b   Keith, Todd A ^a  

^a YALE UNIVERSITY   (United States)

^b Lorentzian Incorporated   (United States)

Author keywords

[No Author keywords available]

Indexed keywords

EID: 1242313893     PISSN: 10895639     EISSN: None     Source Type: Journal    
DOI: 10.1021/jp982214x     Document Type: Article

References (22)

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16. (1) are determined by operating L̂ about the common origin.
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19. The GIAO results are available in the Supporting Information.
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